CID 497251

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

Structural Information

Molecular Formula
C14H8N4O4
SMILES
C1=CC(=CC(=C1)O)C2=C(C(=O)NC3=C2C(=O)NC(=O)N3)C#N
InChI
InChI=1S/C14H8N4O4/c15-5-8-9(6-2-1-3-7(19)4-6)10-11(16-12(8)20)17-14(22)18-13(10)21/h1-4,19H,(H3,16,17,18,20,21,22)
InChIKey
BXEAJTMLYLQSMA-UHFFFAOYSA-N
Compound name
5-(3-hydroxyphenyl)-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

296.05457 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06185 171.7
[M+Na]+ 319.04379 184.5
[M-H]- 295.04729 170.0
[M+NH4]+ 314.08839 179.8
[M+K]+ 335.01773 175.8
[M+H-H2O]+ 279.05183 156.6
[M+HCOO]- 341.05277 183.2
[M+CH3COO]- 355.06842 179.6
[M+Na-2H]- 317.02924 175.1
[M]+ 296.05402 164.0
[M]- 296.05512 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.