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N-benzyl-9-methyl-6-methoxy-4-trifluoromethyl-9H-pyrimido[4,5-b]indole-2-amine
SpectraBase Compound ID 250ZFgCsDzH
InChI InChI=1S/C20H17F3N4O/c1-27-15-9-8-13(28-2)10-14(15)16-17(20(21,22)23)25-19(26-18(16)27)24-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,24,25,26)
InChIKey IYMNEECQJIAKLV-UHFFFAOYSA-N
Mol Weight 386.38 g/mol
Molecular Formula C20H17F3N4O
Exact Mass 386.135446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VDyUGMaLW8
Name N-benzyl-9-methyl-6-methoxy-4-trifluoromethyl-9H-pyrimido[4,5-b]indole-2-amine
Appearance Light yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17F3N4O
InChI InChI=1S/C20H17F3N4O/c1-27-15-9-8-13(28-2)10-14(15)16-17(20(21,22)23)25-19(26-18(16)27)24-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,24,25,26)
InChIKey IYMNEECQJIAKLV-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 386.378 g/mol
SMILES N(c1nc(c2c3c([n](C)c2n1)ccc(c3)OC)C(F)(F)F)Cc1ccccc1
SPLASH splash10-000i-0229000000-c4ce9c8fc3e1aae4b4b9
Source of Spectrum RU2625316C1
Wiley ID 1855342