CID 135410230

Chembl364321

Structural Information

Molecular Formula
C11H8N2O5
SMILES
C1=CC(=CC(=C1)O)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C11H8N2O5/c14-6-3-1-2-5(4-6)9-12-7(11(17)18)8(15)10(16)13-9/h1-4,14-15H,(H,17,18)(H,12,13,16)
InChIKey
IUNIIGJVJCSRMN-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.04332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05060 150.9
[M+Na]+ 271.03254 160.5
[M-H]- 247.03604 151.0
[M+NH4]+ 266.07714 162.7
[M+K]+ 287.00648 155.8
[M+H-H2O]+ 231.04058 143.4
[M+HCOO]- 293.04152 167.9
[M+CH3COO]- 307.05717 183.9
[M+Na-2H]- 269.01799 154.7
[M]+ 248.04277 149.3
[M]- 248.04387 149.3
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.