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2,4-Bis(pivaloylamino)-9-benzyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine

View entire compound with spectra: 1 MS (GC)

2,4-Bis(pivaloylamino)-9-benzyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
SpectraBase Compound ID 4DN7dTT9GAC
InChI InChI=1S/C27H37N5O2/c1-25(2,3)22(33)28-20-19-18-13-10-14-27(16-18,15-17-11-8-7-9-12-17)32-21(19)30-24(29-20)31-23(34)26(4,5)6/h7-9,11-12,18H,10,13-16H2,1-6H3,(H3,28,29,30,31,32,33,34)
InChIKey FXKSCBUSMMHUDD-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C27H37N5O2
Exact Mass 463.294725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOk2ZAGuttS
Name 2,4-Bis(pivaloylamino)-9-benzyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Alternate Name(s) N-{9-benzyl-3-[(2,2-dimethylpropanoyl)amino]-4,6,8-triazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-5-yl}-2,2-dimethylpropanamide
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Formula C27H37N5O2
InChI InChI=1S/C27H37N5O2/c1-25(2,3)22(33)28-20-19-18-13-10-14-27(16-18,15-17-11-8-7-9-12-17)32-21(19)30-24(29-20)31-23(34)26(4,5)6/h7-9,11-12,18H,10,13-16H2,1-6H3,(H3,28,29,30,31,32,33,34)
InChIKey FXKSCBUSMMHUDD-UHFFFAOYSA-N
Molecular Weight 463.626 g/mol
SMILES N1C2(CCCC(c3c(nc(nc13)NC(C(C)(C)C)=O)NC(C(C)(C)C)=O)C2)Cc1ccccc1
SPLASH splash10-0a4i-0003900000-13d97b4b01556a9c7986
Source of Spectrum O1-61-121-10
Wiley ID 1592321