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2-Amino-4-(4-((1,3-dioxoisoindolin-2-yl)methoxy)phenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-Amino-4-(4-((1,3-dioxoisoindolin-2-yl)methoxy)phenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile
SpectraBase Compound ID KIoX66kCfY
InChI InChI=1S/C25H17N3O6/c1-13-10-19-21(25(31)33-13)20(18(11-26)22(27)34-19)14-6-8-15(9-7-14)32-12-28-23(29)16-4-2-3-5-17(16)24(28)30/h2-10,20H,12,27H2,1H3
InChIKey YQNVEHAEUZQKPC-UHFFFAOYSA-N
Mol Weight 455.43 g/mol
Molecular Formula C25H17N3O6
Exact Mass 455.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZuwGEfRID8
Name 2-Amino-4-(4-((1,3-dioxoisoindolin-2-yl)methoxy)phenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17N3O6
InChI InChI=1S/C25H17N3O6/c1-13-10-19-21(25(31)33-13)20(18(11-26)22(27)34-19)14-6-8-15(9-7-14)32-12-28-23(29)16-4-2-3-5-17(16)24(28)30/h2-10,20H,12,27H2,1H3
InChIKey YQNVEHAEUZQKPC-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3204
Molecular Weight 455.426 g/mol
SMILES NC1=C(C(C2=C(O1)C=C(OC2=O)C)c1ccc(cc1)OCN1C(c2c(C1=O)cccc2)=O)C#N
SPLASH splash10-03di-0900000000-18316d7c3bb9beb178ef
Source of Spectrum Y-55-1683-8b
Wiley ID 1879197