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1-(4-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(3-trifluoromethyl-phenyl)urea
SpectraBase Compound ID 4NyP6xkQyOR
InChI InChI=1S/C28H20F3N5O2/c29-28(30,31)19-7-4-8-21(17-19)34-27(38)33-20-9-11-22(12-10-20)36-16-14-23-24(36)13-15-32-25(23)35-26(37)18-5-2-1-3-6-18/h1-17H,(H,32,35,37)(H2,33,34,38)
InChIKey KZWRWHZUHNDVDQ-UHFFFAOYSA-N
Mol Weight 515.5 g/mol
Molecular Formula C28H20F3N5O2
Exact Mass 515.156909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3v21oO4jVDI
Name 1-(4-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(3-trifluoromethyl-phenyl)urea
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20F3N5O2
InChI InChI=1S/C28H20F3N5O2/c29-28(30,31)19-7-4-8-21(17-19)34-27(38)33-20-9-11-22(12-10-20)36-16-14-23-24(36)13-15-32-25(23)35-26(37)18-5-2-1-3-6-18/h1-17H,(H,32,35,37)(H2,33,34,38)
InChIKey KZWRWHZUHNDVDQ-UHFFFAOYSA-N
Molecular Weight 515.496 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(Nc4cc(C(F)(F)F)ccc4)=O)cc3)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-014i-0000090000-22d624fbd825eec3cdf4
Source of Spectrum F2-46-3223-8c
Synonyms N-[1-[4-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]phenyl]-4-pyrrolo[3,2-c]pyridinyl]benzamide
Wiley ID 1690000