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4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)-N-[4-oxo-2-(4-methylphenyl)thiazolidin-3-yl]benzamide
SpectraBase Compound ID Ec62M6DchNU
InChI InChI=1S/C31H22Br2N4O3S/c1-18-7-9-21(10-8-18)31-37(26(38)17-41-31)35-29(39)20-11-13-23(14-12-20)36-28(19-5-3-2-4-6-19)34-27-24(30(36)40)15-22(32)16-25(27)33/h2-16,31H,17H2,1H3,(H,35,39)
InChIKey IHLYWMOJAQJODT-UHFFFAOYSA-N
Mol Weight 690.41 g/mol
Molecular Formula C31H22Br2N4O3S
Exact Mass 687.977938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tTdqMrrNNF
Name 4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)-N-[4-oxo-2-(4-methylphenyl)thiazolidin-3-yl]benzamide
Alternate Name(s) 4-(6,8-dibromo-4-oxo-2-phenyl-3-quinazolinyl)-N-[2-(4-methylphenyl)-4-oxo-3-thiazolidinyl]benzamide 4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide 4-(6,8-dibromo-4-oxo-2-phenyl-quinazolin-3-yl)-N-[4-oxo-2-(p-tolyl)thiazolidin-3-yl]benzamide 4-[6,8-bis(bromanyl)-4-oxidanylidene-2-phenyl-quinazolin-3-yl]-N-[2-(4-methylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C31H22Br2N4O3S
InChI InChI=1S/C31H22Br2N4O3S/c1-18-7-9-21(10-8-18)31-37(26(38)17-41-31)35-29(39)20-11-13-23(14-12-20)36-28(19-5-3-2-4-6-19)34-27-24(30(36)40)15-22(32)16-25(27)33/h2-16,31H,17H2,1H3,(H,35,39)
InChIKey IHLYWMOJAQJODT-UHFFFAOYSA-N
Molecular Weight 690.410 g/mol
SMILES N(N1C(SCC1=O)c1ccc(cc1)C)C(c1ccc(N2C(c3cc(Br)cc(c3N=C2c2ccccc2)Br)=O)cc1)=O
SPLASH splash10-000i-0000900000-0c31e9e90ce82d846e5f
Source of Spectrum F2-45-3317-5c
Wiley ID 1689306