CID 145915580

2293786-19-1

Structural Information

Molecular Formula
C8H5N3O3S
SMILES
C1=CSC(=N1)C2=NC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C8H5N3O3S/c12-6-4(8(13)14)3-10-5(11-6)7-9-1-2-15-7/h1-3H,(H,13,14)(H,10,11,12)
InChIKey
LVFNSOIVIOYSRB-UHFFFAOYSA-N
Compound name
6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00516 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01244 143.8
[M+Na]+ 245.99438 154.5
[M-H]- 221.99788 145.4
[M+NH4]+ 241.03898 159.0
[M+K]+ 261.96832 150.0
[M+H-H2O]+ 206.00242 136.7
[M+HCOO]- 268.00336 159.1
[M+CH3COO]- 282.01901 178.8
[M+Na-2H]- 243.97983 145.7
[M]+ 223.00461 144.8
[M]- 223.00571 144.8
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.