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2-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-methoxylphenyl)-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-methoxylphenyl)-4-oxobutanoyl]amino-4,6-diamino-1,3,5-triazine
SpectraBase Compound ID EMrZRKw5mej
InChI InChI=1S/C24H21N7O5/c1-12(32)31-17-6-4-3-5-15(17)19(21(31)35)16(11-18(33)13-7-9-14(36-2)10-8-13)20(34)27-24-29-22(25)28-23(26)30-24/h3-10H,11H2,1-2H3,(H5,25,26,27,28,29,30,34)/b19-16+
InChIKey NTGLUSQEUGJSGL-KNTRCKAVSA-N
Mol Weight 487.48 g/mol
Molecular Formula C24H21N7O5
Exact Mass 487.160417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IPlY1RMA4
Name 2-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-methoxylphenyl)-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 C24H21N7O5
InChI InChI=1S/C24H21N7O5/c1-12(32)31-17-6-4-3-5-15(17)19(21(31)35)16(11-18(33)13-7-9-14(36-2)10-8-13)20(34)27-24-29-22(25)28-23(26)30-24/h3-10H,11H2,1-2H3,(H5,25,26,27,28,29,30,34)/b19-16+
InChIKey NTGLUSQEUGJSGL-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 487.476 g/mol
SMILES N(C(\C(=C\1C(N(c2c1cccc2)C(C)=O)=O)CC(=O)c1ccc(cc1)OC)=O)c1nc(nc(n1)N)N
SPLASH splash10-000l-9710000000-d83b067806ae45d13771
Source of Spectrum ARK-2006-169-8c
Wiley ID 1871139