CID 135434362

5,6-dihydroxy-2-(3-methoxyphenyl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H10N2O5
SMILES
COC1=CC=CC(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C12H10N2O5/c1-19-7-4-2-3-6(5-7)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
InChIKey
STRWJVMVKMROHR-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.05896 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06624 154.6
[M+Na]+ 285.04818 164.2
[M-H]- 261.05168 155.9
[M+NH4]+ 280.09278 166.6
[M+K]+ 301.02212 160.1
[M+H-H2O]+ 245.05622 146.6
[M+HCOO]- 307.05716 172.8
[M+CH3COO]- 321.07281 189.0
[M+Na-2H]- 283.03363 158.4
[M]+ 262.05841 155.2
[M]- 262.05951 155.2
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.