CID 135754400

2-(3,4,5-trimethoxystyryl)pyrido(2,3-d)pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C18H17N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC3=C(C=CC=N3)C(=O)N2
InChI
InChI=1S/C18H17N3O4/c1-23-13-9-11(10-14(24-2)16(13)25-3)6-7-15-20-17-12(18(22)21-15)5-4-8-19-17/h4-10H,1-3H3,(H,19,20,21,22)/b7-6+
InChIKey
VTSHYLYJDMFLOW-VOTSOKGWSA-N
Compound name
2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 180.6
[M+Na]+ 362.11114 190.9
[M-H]- 338.11464 183.5
[M+NH4]+ 357.15574 190.5
[M+K]+ 378.08508 185.1
[M+H-H2O]+ 322.11918 170.0
[M+HCOO]- 384.12012 198.6
[M+CH3COO]- 398.13577 209.6
[M+Na-2H]- 360.09659 185.5
[M]+ 339.12137 185.3
[M]- 339.12247 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.