CID 135754400

101231-85-0

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]+ 340.129196 180.6
[M+Na]+ 362.111138 190.9
[M-H]- 338.114644 183.5
[M+NH4]+ 357.155743 190.5
[M+K]+ 378.085078 185.1
[M+H-H2O]+ 322.119180 170.0
[M+HCOO]- 384.120121 198.6
[M+CH3COO]- 398.135771 209.6
[M+Na-2H]- 360.096586 185.5
[M]+ 339.12137142 185.3
[M]- 339.12246858 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.