CID 5273318

Chembl362571

Structural Information

Molecular Formula
C12H10N2O5
SMILES
COC1=NC(=NC(=C1O)C(=O)O)C2=CC(=CC=C2)O
InChI
InChI=1S/C12H10N2O5/c1-19-11-9(16)8(12(17)18)13-10(14-11)6-3-2-4-7(15)5-6/h2-5,15-16H,1H3,(H,17,18)
InChIKey
QGYWVGBIPCUSLL-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-hydroxyphenyl)-6-methoxypyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.05896 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06624 155.3
[M+Na]+ 285.04818 164.6
[M-H]- 261.05168 156.6
[M+NH4]+ 280.09278 167.3
[M+K]+ 301.02212 161.2
[M+H-H2O]+ 245.05622 147.3
[M+HCOO]- 307.05716 173.3
[M+CH3COO]- 321.07281 189.7
[M+Na-2H]- 283.03363 159.1
[M]+ 262.05841 156.6
[M]- 262.05951 156.6
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.