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N-[(3Z)-3-(2-amino-4-oxo-1H-imidazol-5-ylidene)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
SpectraBase Compound ID 94MjBaVSdcp
InChI InChI=1S/C11H11Br2N5O2/c12-5-4-7(16-8(5)13)9(19)15-3-1-2-6-10(20)18-11(14)17-6/h2,4,16H,1,3H2,(H,15,19)(H3,14,17,18,20)/b6-2-
InChIKey OZDXBLQPTGBKSW-KXFIGUGUSA-N
Mol Weight 405.05 g/mol
Molecular Formula C11H11Br2N5O2
Exact Mass 402.927951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qHuRs3MiX3
Name N-[(3Z)-3-(2-amino-4-oxo-1H-imidazol-5-ylidene)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Alternate Name(s) N-[(3Z)-3-(2-amino-5-keto-2-imidazolin-4-ylidene)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide N-[(3Z)-3-(2-azanyl-4-oxidanylidene-1H-imidazol-5-ylidene)propyl]-4,5-bis(bromanyl)-1H-pyrrole-2-carboxamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11Br2N5O2
InChI InChI=1S/C11H11Br2N5O2/c12-5-4-7(16-8(5)13)9(19)15-3-1-2-6-10(20)18-11(14)17-6/h2,4,16H,1,3H2,(H,15,19)(H3,14,17,18,20)/b6-2-
InChIKey OZDXBLQPTGBKSW-KXFIGUGUSA-N
Molecular Weight 405.050 g/mol
SMILES N1\C(C(N=C1N)=O)=C/CCNC(c1[nH]c(c(c1)Br)Br)=O
SPLASH splash10-0a4i-0001900000-516507aad96eaf25dca4
Source of Spectrum J-63-1253-2
Wiley ID 1370763