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N-[4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-4-morpholino-3-trifluoromethyl-benzamide
SpectraBase Compound ID 4wS13fr8oi1
InChI InChI=1S/C32H26F3N5O3/c33-32(34,35)26-20-22(6-11-28(26)39-16-18-43-19-17-39)31(42)37-23-7-9-24(10-8-23)40-15-13-25-27(40)12-14-36-29(25)38-30(41)21-4-2-1-3-5-21/h1-15,20H,16-19H2,(H,37,42)(H,36,38,41)
InChIKey PGEQQHFHAQPHLF-UHFFFAOYSA-N
Mol Weight 585.6 g/mol
Molecular Formula C32H26F3N5O3
Exact Mass 585.198774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g7XWzqXbNP
Name N-[4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-4-morpholino-3-trifluoromethyl-benzamide
Alternate Name(s) N-[4-(4-benzamido-1-pyrrolo[3,2-c]pyridinyl)phenyl]-4-(4-morpholinyl)-3-(trifluoromethyl)benzamide N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26F3N5O3
InChI InChI=1S/C32H26F3N5O3/c33-32(34,35)26-20-22(6-11-28(26)39-16-18-43-19-17-39)31(42)37-23-7-9-24(10-8-23)40-15-13-25-27(40)12-14-36-29(25)38-30(41)21-4-2-1-3-5-21/h1-15,20H,16-19H2,(H,37,42)(H,36,38,41)
InChIKey PGEQQHFHAQPHLF-UHFFFAOYSA-N
Molecular Weight 585.587 g/mol
SMILES N(C(c1cc(C(F)(F)F)c(N2CCOCC2)cc1)=O)c1ccc(-[n]2c3c(c(ncc3)NC(=O)c3ccccc3)cc2)cc1
SPLASH splash10-000i-0000090000-507c1309f91b9d79e10c
Source of Spectrum F2-46-3224-9d
Wiley ID 1689992