CID 31661241

2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C8H5N3O4
SMILES
C1=C(C=NC2=C1C(=O)NC(=O)N2)C(=O)O
InChI
InChI=1S/C8H5N3O4/c12-6-4-1-3(7(13)14)2-9-5(4)10-8(15)11-6/h1-2H,(H,13,14)(H2,9,10,11,12,15)
InChIKey
PCCNUUFPHRNLKB-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.028 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.035276 139.6
[M+Na]+ 230.017218 150.6
[M-H]- 206.020724 137.3
[M+NH4]+ 225.061823 153.6
[M+K]+ 245.991158 145.9
[M+H-H2O]+ 190.025260 132.6
[M+HCOO]- 252.026201 156.1
[M+CH3COO]- 266.041851 177.5
[M+Na-2H]- 228.002666 146.9
[M]+ 207.02745142 138.2
[M]- 207.02854858 138.2
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.