CID 155978085

2624134-71-8

Structural Information

Molecular Formula
C8H5N3O4
SMILES
C1=C(C=NC2=C1NC(=O)NC2=O)C(=O)O
InChI
InChI=1S/C8H5N3O4/c12-6-5-4(10-8(15)11-6)1-3(2-9-5)7(13)14/h1-2H,(H,13,14)(H2,10,11,12,15)
InChIKey
VJJLASHODKICRF-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-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]+ 208.03528 139.6
[M+Na]+ 230.01722 150.6
[M-H]- 206.02072 137.3
[M+NH4]+ 225.06182 153.6
[M+K]+ 245.99116 145.9
[M+H-H2O]+ 190.02526 132.6
[M+HCOO]- 252.02620 156.1
[M+CH3COO]- 266.04185 177.5
[M+Na-2H]- 228.00267 146.9
[M]+ 207.02745 138.2
[M]- 207.02855 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.