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2-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-methylphenyl)-4-oxobutanoyl]amino-4,6-diamino-1,3,5-triazine

View entire compound with spectra: 1 MS (GC)

2-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-methylphenyl)-4-oxobutanoyl]amino-4,6-diamino-1,3,5-triazine
SpectraBase Compound ID GtL7IBOL3zm
InChI InChI=1S/C24H21N7O4/c1-12-7-9-14(10-8-12)18(33)11-16(20(34)27-24-29-22(25)28-23(26)30-24)19-15-5-3-4-6-17(15)31(13(2)32)21(19)35/h3-10H,11H2,1-2H3,(H5,25,26,27,28,29,30,34)/b19-16+
InChIKey NENXUVVBNMDLPT-KNTRCKAVSA-N
Mol Weight 471.48 g/mol
Molecular Formula C24H21N7O4
Exact Mass 471.165502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4dME0hFYRs
Name 2-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-methylphenyl)-4-oxobutanoyl]amino-4,6-diamino-1,3,5-triazine
Appearance Reddish Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N7O4
InChI InChI=1S/C24H21N7O4/c1-12-7-9-14(10-8-12)18(33)11-16(20(34)27-24-29-22(25)28-23(26)30-24)19-15-5-3-4-6-17(15)31(13(2)32)21(19)35/h3-10H,11H2,1-2H3,(H5,25,26,27,28,29,30,34)/b19-16+
InChIKey NENXUVVBNMDLPT-KNTRCKAVSA-N
Instrument Name VG Trio-2 or Gc/Ms-QPL000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.a19
Molecular Weight 471.477 g/mol
SMILES N(C(\C(=C\1C(N(c2c1cccc2)C(C)=O)=O)CC(=O)c1ccc(cc1)C)=O)c1nc(nc(n1)N)N
SPLASH splash10-014i-7911300000-25c7a4d3baa38582870a
Source of Spectrum ARK-2006-169-8b
Wiley ID 1871138