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2,3-Bis((4-methoxyphenyl)amino)-5-(ethoxycarbonyl)-7-methylpyrido[2,3,4-de]quinazoline
SpectraBase Compound ID 9Q0rkIWrhIi
InChI InChI=1S/C28H27N5O4/c1-5-37-27(34)24-16-22-17(2)6-15-23-25(22)26(30-24)33(32-19-9-13-21(36-4)14-10-19)28(31-23)29-18-7-11-20(35-3)12-8-18/h6-16,32H,5H2,1-4H3,(H,29,31)
InChIKey WFFLCSONXJHWEP-UHFFFAOYSA-N
Mol Weight 497.56 g/mol
Molecular Formula C28H27N5O4
Exact Mass 497.206304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HChqVPOnZ4
Name 2,3-Bis((4-methoxyphenyl)amino)-5-(ethoxycarbonyl)-7-methylpyrido[2,3,4-de]quinazoline
Comments Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C28H27N5O4 - which differs from the formula reported for the mass spectrum (C28H26N4O4)
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Formula C28H26N4O4
InChI InChI=1S/C28H27N5O4/c1-5-37-27(34)24-16-22-17(2)6-15-23-25(22)26(30-24)33(32-19-9-13-21(36-4)14-10-19)28(31-23)29-18-7-11-20(35-3)12-8-18/h6-16,32H,5H2,1-4H3,(H,29,31)
InChIKey WFFLCSONXJHWEP-UHFFFAOYSA-N
Molecular Weight 497.555 g/mol
SMILES N(c1ccc(OC)cc1)C1=Nc2ccc(c3c2c(N1Nc1ccc(cc1)OC)nc(c3)C(=O)OCC)C
SPLASH splash10-001i-0000900000-74f0980b7b80c7934428
Source of Spectrum J-57-6708-5
Wiley ID 1395661