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N-[(pyridin-2-yl)methyl]-4-trifluoromethyl-6-methoxy-9-methyl-9H-pyrimido[4,5-b]indol-2-amine
SpectraBase Compound ID Hl3yOhBFte1
InChI InChI=1S/C19H16F3N5O/c1-27-14-7-6-12(28-2)9-13(14)15-16(19(20,21)22)25-18(26-17(15)27)24-10-11-5-3-4-8-23-11/h3-9H,10H2,1-2H3,(H,24,25,26)
InChIKey ZTDJIBDZGGFOCN-UHFFFAOYSA-N
Mol Weight 387.37 g/mol
Molecular Formula C19H16F3N5O
Exact Mass 387.130695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cLf01LAvQZ
Name N-[(pyridin-2-yl)methyl]-4-trifluoromethyl-6-methoxy-9-methyl-9H-pyrimido[4,5-b]indol-2-amine
Appearance Beige crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F3N5O
InChI InChI=1S/C19H16F3N5O/c1-27-14-7-6-12(28-2)9-13(14)15-16(19(20,21)22)25-18(26-17(15)27)24-10-11-5-3-4-8-23-11/h3-9H,10H2,1-2H3,(H,24,25,26)
InChIKey ZTDJIBDZGGFOCN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 387.366 g/mol
SMILES N(c1nc(c2c([n](c3ccc(cc23)OC)C)n1)C(F)(F)F)Cc1ccccn1
SPLASH splash10-052r-0109000000-73c96278bfc1976809b6
Source of Spectrum RU2625316C1
Wiley ID 1855346