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1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-(4-benzamido-1Hpyrrolo[3,2-c]pyridine-1-yl)phenyl)urea

View entire compound with spectra: 1 MS (GC)

1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-(4-benzamido-1Hpyrrolo[3,2-c]pyridine-1-yl)phenyl)urea
SpectraBase Compound ID HNuOu2f2jZU
InChI InChI=1S/C29H19F6N5O2/c30-28(31,32)18-14-19(29(33,34)35)16-21(15-18)38-27(42)37-20-6-8-22(9-7-20)40-13-11-23-24(40)10-12-36-25(23)39-26(41)17-4-2-1-3-5-17/h1-16H,(H,36,39,41)(H2,37,38,42)
InChIKey SLUZLGHYGKGSMI-UHFFFAOYSA-N
Mol Weight 583.49 g/mol
Molecular Formula C29H19F6N5O2
Exact Mass 583.144294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mCy7bXC8H
Name 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-(4-benzamido-1Hpyrrolo[3,2-c]pyridine-1-yl)phenyl)urea
Alternate Name(s) N-[1-[4-[[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-4-pyrrolo[3,2-c]pyridinyl]benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H19F6N5O2
InChI InChI=1S/C29H19F6N5O2/c30-28(31,32)18-14-19(29(33,34)35)16-21(15-18)38-27(42)37-20-6-8-22(9-7-20)40-13-11-23-24(40)10-12-36-25(23)39-26(41)17-4-2-1-3-5-17/h1-16H,(H,36,39,41)(H2,37,38,42)
InChIKey SLUZLGHYGKGSMI-UHFFFAOYSA-N
Molecular Weight 583.494 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)=O)cc3)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-000i-0000090000-f22759e34cc020f8c85f
Source of Spectrum F2-46-3223-8e
Wiley ID 1689998