CID 497252

5-(2,4-dimethoxyphenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

Structural Information

Molecular Formula
C16H12N4O5
SMILES
COC1=CC(=C(C=C1)C2=C(C(=O)NC3=C2C(=O)NC(=O)N3)C#N)OC
InChI
InChI=1S/C16H12N4O5/c1-24-7-3-4-8(10(5-7)25-2)11-9(6-17)14(21)18-13-12(11)15(22)20-16(23)19-13/h3-5H,1-2H3,(H3,18,19,20,21,22,23)
InChIKey
PGYLFJMOVAKMKU-UHFFFAOYSA-N
Compound name
5-(2,4-dimethoxyphenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.08078 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08806 180.0
[M+Na]+ 363.07000 192.7
[M-H]- 339.07350 179.4
[M+NH4]+ 358.11460 187.2
[M+K]+ 379.04394 185.3
[M+H-H2O]+ 323.07804 164.2
[M+HCOO]- 385.07898 192.3
[M+CH3COO]- 399.09463 215.5
[M+Na-2H]- 361.05545 182.5
[M]+ 340.08023 176.0
[M]- 340.08133 176.0
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.