CID 1807101

32084-55-2

Structural Information

Molecular Formula
C7H6N2O3S
SMILES
C1CSC2=NC=C(C(=O)N21)C(=O)O
InChI
InChI=1S/C7H6N2O3S/c10-5-4(6(11)12)3-8-7-9(5)1-2-13-7/h3H,1-2H2,(H,11,12)
InChIKey
LNTBEMJFYFIVCQ-UHFFFAOYSA-N
Compound name
5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

198.00992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.017196 137.1
[M+Na]+ 220.999138 147.5
[M-H]- 197.002644 138.5
[M+NH4]+ 216.043743 156.7
[M+K]+ 236.973078 144.8
[M+H-H2O]+ 181.007180 131.5
[M+HCOO]- 243.008121 152.4
[M+CH3COO]- 257.023771 177.4
[M+Na-2H]- 218.984586 140.0
[M]+ 198.00937142 139.2
[M]- 198.01046858 139.2
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

patents stripe