CID 648108

33304-83-5

Structural Information

Molecular Formula
C8H6N2O3S
SMILES
COC(=O)C1=CC(=O)N=C2N1C=CS2
InChI
InChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3
InChIKey
YPIZITNNUSTRMY-UHFFFAOYSA-N
Compound name
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

210.00992 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01720 139.2
[M+Na]+ 232.99914 151.9
[M-H]- 209.00264 142.8
[M+NH4]+ 228.04374 159.4
[M+K]+ 248.97308 149.3
[M+H-H2O]+ 193.00718 133.2
[M+HCOO]- 255.00812 158.6
[M+CH3COO]- 269.02377 181.6
[M+Na-2H]- 230.98459 143.8
[M]+ 210.00937 146.2
[M]- 210.01047 146.2
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

No patent data available for this compound.