CID 135754398

2-styrylpyrido(2,3-d)pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=N3)C(=O)N2
InChI
InChI=1S/C15H11N3O/c19-15-12-7-4-10-16-14(12)17-13(18-15)9-8-11-5-2-1-3-6-11/h1-10H,(H,16,17,18,19)/b9-8+
InChIKey
UUGYBJKEPOUNQS-CMDGGOBGSA-N
Compound name
2-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 156.5
[M+Na]+ 272.07943 173.4
[M+NH4]+ 267.12403 164.3
[M+K]+ 288.05337 164.6
[M-H]- 248.08293 159.8
[M+Na-2H]- 270.06488 166.3
[M]+ 249.08966 159.9
[M]- 249.09076 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.