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N-(6-iodo-4-oxo-2-(phenylamino)quinazolin-3(4H)-yl)-2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxamide
SpectraBase Compound ID FBbKKp1nA34
InChI InChI=1S/C24H23IN4O7/c1-12-15(10-19(36-12)21(33)20(32)18(31)11-30)22(34)28-29-23(35)16-9-13(25)7-8-17(16)27-24(29)26-14-5-3-2-4-6-14/h2-10,18,20-21,30-33H,11H2,1H3,(H,26,27)(H,28,34)
InChIKey GKZCLNXOSUAODF-UHFFFAOYSA-N
Mol Weight 606.37 g/mol
Molecular Formula C24H23IN4O7
Exact Mass 606.061144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RXlBd1DIe
Name N-(6-iodo-4-oxo-2-(phenylamino)quinazolin-3(4H)-yl)-2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxamide
Appearance Off-white crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23IN4O7
InChI InChI=1S/C24H23IN4O7/c1-12-15(10-19(36-12)21(33)20(32)18(31)11-30)22(34)28-29-23(35)16-9-13(25)7-8-17(16)27-24(29)26-14-5-3-2-4-6-14/h2-10,18,20-21,30-33H,11H2,1H3,(H,26,27)(H,28,34)
InChIKey GKZCLNXOSUAODF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2953
Molecular Weight 606.373 g/mol
SMILES N(N1C(c2c(N=C1Nc1ccccc1)ccc(c2)I)=O)C(c1c(oc(C(C(C(CO)O)O)O)c1)C)=O
SPLASH splash10-008i-0330593000-ca518644bb9efe31bf53
Source of Spectrum Y-54-3338-6
Wiley ID 1878678