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N-[4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-3-trifluoromethyl-benzamide
SpectraBase Compound ID mm0I7mwlse
InChI InChI=1S/C28H19F3N4O2/c29-28(30,31)20-8-4-7-19(17-20)27(37)33-21-9-11-22(12-10-21)35-16-14-23-24(35)13-15-32-25(23)34-26(36)18-5-2-1-3-6-18/h1-17H,(H,33,37)(H,32,34,36)
InChIKey XIHVAPDBFVMZIG-UHFFFAOYSA-N
Mol Weight 500.48 g/mol
Molecular Formula C28H19F3N4O2
Exact Mass 500.14601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LInJvVuwlxv
Name N-[4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-3-trifluoromethyl-benzamide
Alternate Name(s) N-[4-(4-benzamido-1-pyrrolo[3,2-c]pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H19F3N4O2
InChI InChI=1S/C28H19F3N4O2/c29-28(30,31)20-8-4-7-19(17-20)27(37)33-21-9-11-22(12-10-21)35-16-14-23-24(35)13-15-32-25(23)34-26(36)18-5-2-1-3-6-18/h1-17H,(H,33,37)(H,32,34,36)
InChIKey XIHVAPDBFVMZIG-UHFFFAOYSA-N
Molecular Weight 500.481 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(c4cc(C(F)(F)F)ccc4)=O)cc3)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-0udi-0000090000-03482445b7265f84f0e2
Source of Spectrum F2-46-3223-9a
Wiley ID 1689995