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4-[[4-(4-cyanoanilino)-6-morpholino-1,3,5-triazin-2-yl]amino]benzonitrile
SpectraBase Compound ID 4EhsJoKfrb9
InChI InChI=1S/C21H18N8O/c22-13-15-1-5-17(6-2-15)24-19-26-20(25-18-7-3-16(14-23)4-8-18)28-21(27-19)29-9-11-30-12-10-29/h1-8H,9-12H2,(H2,24,25,26,27,28)
InChIKey HHFPDQXAYKNIFR-UHFFFAOYSA-N
Mol Weight 398.43 g/mol
Molecular Formula C21H18N8O
Exact Mass 398.160357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ANo7tWHmoA
Name 4-[[4-(4-cyanoanilino)-6-morpholino-1,3,5-triazin-2-yl]amino]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N8O
InChI InChI=1S/C21H18N8O/c22-13-15-1-5-17(6-2-15)24-19-26-20(25-18-7-3-16(14-23)4-8-18)28-21(27-19)29-9-11-30-12-10-29/h1-8H,9-12H2,(H2,24,25,26,27,28)
InChIKey HHFPDQXAYKNIFR-UHFFFAOYSA-N
Instrument Name HP 5973
Ionization Type EI+
Literature Reference DOI 10.3998/ark.5550190.0008.f23
Molecular Weight 398.430 g/mol
SMILES N(c1nc(nc(n1)Nc1ccc(cc1)C#N)N1CCOCC1)c1ccc(cc1)C#N
SPLASH splash10-0fsm-0719000000-d39beb1f3d8e56054c57
Source of Spectrum ARK-2007-241-16
Thin-Layer Chromatography Rf = 0.34 (CH2Cl2/MeOH, 100:1)
Wiley ID 1868942