CID 136277052

4-oxo-3h,4h-pyrido[3,4-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C8H5N3O3
SMILES
C1=C2C(=CN=C1C(=O)O)N=CNC2=O
InChI
InChI=1S/C8H5N3O3/c12-7-4-1-5(8(13)14)9-2-6(4)10-3-11-7/h1-3H,(H,13,14)(H,10,11,12)
InChIKey
QLHOWKLZVNAPAZ-UHFFFAOYSA-N
Compound name
4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.0331 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.040376 136.6
[M+Na]+ 214.022318 147.1
[M-H]- 190.025824 135.3
[M+NH4]+ 209.066923 151.8
[M+K]+ 229.996258 143.1
[M+H-H2O]+ 174.030360 129.2
[M+HCOO]- 236.031301 154.4
[M+CH3COO]- 250.046951 176.9
[M+Na-2H]- 212.007766 145.2
[M]+ 191.03255142 135.9
[M]- 191.03364858 135.9
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

patents stripe