CID 135434746

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

Structural Information

Molecular Formula
C9H7N3O4S
SMILES
CC1=NC(=CS1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C9H7N3O4S/c1-3-10-4(2-17-3)7-11-5(9(15)16)6(13)8(14)12-7/h2,13H,1H3,(H,15,16)(H,11,12,14)
InChIKey
HAOLKYOQBOTMLO-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01573 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.02301 151.6
[M+Na]+ 276.00495 162.7
[M-H]- 252.00845 152.3
[M+NH4]+ 271.04955 165.3
[M+K]+ 291.97889 157.7
[M+H-H2O]+ 236.01299 145.0
[M+HCOO]- 298.01393 165.1
[M+CH3COO]- 312.02958 184.2
[M+Na-2H]- 273.99040 151.4
[M]+ 253.01518 153.3
[M]- 253.01628 153.3
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.