CID 762362

5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C7H4N2O3S
SMILES
C1=CSC2=NC=C(C(=O)N21)C(=O)O
InChI
InChI=1S/C7H4N2O3S/c10-5-4(6(11)12)3-8-7-9(5)1-2-13-7/h1-3H,(H,11,12)
InChIKey
FDGPDTWORUVKQX-UHFFFAOYSA-N
Compound name
5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

195.99426 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00154 134.8
[M+Na]+ 218.98348 147.4
[M-H]- 194.98698 137.1
[M+NH4]+ 214.02808 154.7
[M+K]+ 234.95742 144.1
[M+H-H2O]+ 178.99152 129.2
[M+HCOO]- 240.99246 153.0
[M+CH3COO]- 255.00811 176.8
[M+Na-2H]- 216.96893 139.5
[M]+ 195.99371 139.7
[M]- 195.99481 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe