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]+ 211.017196 139.2
[M+Na]+ 232.999138 151.9
[M-H]- 209.002644 142.8
[M+NH4]+ 228.043743 159.4
[M+K]+ 248.973078 149.3
[M+H-H2O]+ 193.007180 133.2
[M+HCOO]- 255.008121 158.6
[M+CH3COO]- 269.023771 181.6
[M+Na-2H]- 230.984586 143.8
[M]+ 210.00937142 146.2
[M]- 210.01046858 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.