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2-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-chlorophenyl)-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-chlorophenyl)-4-oxobutanoyl]amino-4,6-diamino-1,3,5-triazine
SpectraBase Compound ID 8NEt0N3bj42
InChI InChI=1S/C23H18ClN7O4/c1-11(32)31-16-5-3-2-4-14(16)18(20(31)35)15(10-17(33)12-6-8-13(24)9-7-12)19(34)27-23-29-21(25)28-22(26)30-23/h2-9H,10H2,1H3,(H5,25,26,27,28,29,30,34)/b18-15+
InChIKey RGZNKQZRNSELGM-OBGWFSINSA-N
Mol Weight 491.9 g/mol
Molecular Formula C23H18ClN7O4
Exact Mass 491.11088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1POENd5hcu
Name 2-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-chlorophenyl)-4-oxobutanoyl]amino-4,6-diamino-1,3,5-triazine
Appearance Deep Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18ClN7O4
InChI InChI=1S/C23H18ClN7O4/c1-11(32)31-16-5-3-2-4-14(16)18(20(31)35)15(10-17(33)12-6-8-13(24)9-7-12)19(34)27-23-29-21(25)28-22(26)30-23/h2-9H,10H2,1H3,(H5,25,26,27,28,29,30,34)/b18-15+
InChIKey RGZNKQZRNSELGM-OBGWFSINSA-N
Instrument Name VG Trio-2 or Gc/Ms-QPL000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.a19
Molecular Weight 491.895 g/mol
SMILES N(C(\C(=C\1C(N(c2c1cccc2)C(C)=O)=O)CC(=O)c1ccc(cc1)Cl)=O)c1nc(nc(n1)N)N
SPLASH splash10-0hl0-9600000000-176886be24e3643fc7eb
Source of Spectrum ARK-2006-170-8d
Wiley ID 1871140