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3-(2-aminophenyl)-6-iodo-2-(phenylamino)quinazolin-4(3H)-one
SpectraBase Compound ID 4aycoNAsq8X
InChI InChI=1S/C20H15IN4O/c21-13-10-11-17-15(12-13)19(26)25(18-9-5-4-8-16(18)22)20(24-17)23-14-6-2-1-3-7-14/h1-12H,22H2,(H,23,24)
InChIKey CACGRZVTGLWNCY-UHFFFAOYSA-N
Mol Weight 454.27 g/mol
Molecular Formula C20H15IN4O
Exact Mass 454.029056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iqx0dwrj1bf
Name 3-(2-aminophenyl)-6-iodo-2-(phenylamino)quinazolin-4(3H)-one
Appearance Off-white crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15IN4O
InChI InChI=1S/C20H15IN4O/c21-13-10-11-17-15(12-13)19(26)25(18-9-5-4-8-16(18)22)20(24-17)23-14-6-2-1-3-7-14/h1-12H,22H2,(H,23,24)
InChIKey CACGRZVTGLWNCY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2953
Molecular Weight 454.271 g/mol
SMILES Nc1c(N2C(=Nc3c(C2=O)cc(cc3)I)Nc2ccccc2)cccc1
SPLASH splash10-0pvr-2902300000-bdea978cc54aa1d188c1
Source of Spectrum Y-54-3337-2
Wiley ID 1878676