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

2
Patents

191.0331 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04038 136.6
[M+Na]+ 214.02232 147.1
[M-H]- 190.02582 135.3
[M+NH4]+ 209.06692 151.8
[M+K]+ 229.99626 143.1
[M+H-H2O]+ 174.03036 129.2
[M+HCOO]- 236.03130 154.4
[M+CH3COO]- 250.04695 176.9
[M+Na-2H]- 212.00777 145.2
[M]+ 191.03255 135.9
[M]- 191.03365 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