CID 135434259

5,6-dihydroxy-2-(2-hydroxyphenyl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O5
SMILES
C1=CC=C(C(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O)O
InChI
InChI=1S/C11H8N2O5/c14-6-4-2-1-3-5(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
MGEOVRBBUGDAMP-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(2-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 249.050596 150.9
[M+Na]+ 271.032538 160.5
[M-H]- 247.036044 151.0
[M+NH4]+ 266.077143 162.7
[M+K]+ 287.006478 155.8
[M+H-H2O]+ 231.040580 143.4
[M+HCOO]- 293.041521 167.9
[M+CH3COO]- 307.057171 183.9
[M+Na-2H]- 269.017986 154.7
[M]+ 248.04277142 149.3
[M]- 248.04386858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.