CID 135434742

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

Structural Information

Molecular Formula
C10H6N2O6S
SMILES
C1=CSC(=C1C2=NC(=C(C(=O)N2)O)C(=O)O)C(=O)O
InChI
InChI=1S/C10H6N2O6S/c13-5-4(9(15)16)11-7(12-8(5)14)3-1-2-19-6(3)10(17)18/h1-2,13H,(H,15,16)(H,17,18)(H,11,12,14)
InChIKey
GPJGFCZFFUFIMJ-UHFFFAOYSA-N
Compound name
2-(2-carboxythiophen-3-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.99466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00194 156.5
[M+Na]+ 304.98388 165.8
[M-H]- 280.98738 157.0
[M+NH4]+ 300.02848 169.1
[M+K]+ 320.95782 161.3
[M+H-H2O]+ 264.99192 150.4
[M+HCOO]- 326.99286 168.9
[M+CH3COO]- 341.00851 187.0
[M+Na-2H]- 302.96933 155.0
[M]+ 281.99411 157.8
[M]- 281.99521 157.8
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.