CID 838816

Ethyl 5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C9H8N2O3S
SMILES
CCOC(=O)C1=CN=C2N(C1=O)C=CS2
InChI
InChI=1S/C9H8N2O3S/c1-2-14-8(13)6-5-10-9-11(7(6)12)3-4-15-9/h3-5H,2H2,1H3
InChIKey
SEEBZSXGWQRHLB-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

224.02556 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.032836 143.8
[M+Na]+ 247.014778 156.0
[M-H]- 223.018284 147.2
[M+NH4]+ 242.059383 163.4
[M+K]+ 262.988718 153.2
[M+H-H2O]+ 207.022820 137.5
[M+HCOO]- 269.023761 162.8
[M+CH3COO]- 283.039411 184.6
[M+Na-2H]- 245.000226 147.9
[M]+ 224.02501142 151.1
[M]- 224.02610858 151.1
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