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2-{3-[6,7-Bis(2-methoxyethoxy)quinazolin-4-ylamino]phenyl}-4H-pyrido[1,2-a]pyrimidin-4-one
SpectraBase Compound ID JR1MN3SsMSJ
InChI InChI=1S/C28H27N5O5/c1-35-10-12-37-24-15-21-23(16-25(24)38-13-11-36-2)29-18-30-28(21)31-20-7-5-6-19(14-20)22-17-27(34)33-9-4-3-8-26(33)32-22/h3-9,14-18H,10-13H2,1-2H3,(H,29,30,31)
InChIKey WILPHBXXGSIZOW-UHFFFAOYSA-N
Mol Weight 513.55 g/mol
Molecular Formula C28H27N5O5
Exact Mass 513.201219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xvvryiAEcq
Name 2-{3-[6,7-Bis(2-methoxyethoxy)quinazolin-4-ylamino]phenyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Appearance Colorless solid
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Exact Mass 513.201218984 u
Formula C28H27N5O5
InChI InChI=1S/C28H27N5O5/c1-35-10-12-37-24-15-21-23(16-25(24)38-13-11-36-2)29-18-30-28(21)31-20-7-5-6-19(14-20)22-17-27(34)33-9-4-3-8-26(33)32-22/h3-9,14-18H,10-13H2,1-2H3,(H,29,30,31)
InChIKey WILPHBXXGSIZOW-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 513.554 g/mol
Quality 81
Reported Formula C28H27N5O5
SMILES N(C1=NC=NC2=C1C=C(OCCOC)C(=C2)OCCOC)C=1C=C(C=CC1)C=1N=C2N(C(C1)=O)C=CC=C2
SPLASH splash10-03di-1001190000-b69d02fb64d12b6dee2f
Source of Spectrum ACI-57-SM36-12 (DOI: 10.1002/anie.201801111)
Wiley ID 1892943