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

39
Patents

198.00992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01720 137.1
[M+Na]+ 220.99914 147.5
[M-H]- 197.00264 138.5
[M+NH4]+ 216.04374 156.7
[M+K]+ 236.97308 144.8
[M+H-H2O]+ 181.00718 131.5
[M+HCOO]- 243.00812 152.4
[M+CH3COO]- 257.02377 177.4
[M+Na-2H]- 218.98459 140.0
[M]+ 198.00937 139.2
[M]- 198.01047 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