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

2
Patents

224.02556 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03284 143.8
[M+Na]+ 247.01478 156.0
[M-H]- 223.01828 147.2
[M+NH4]+ 242.05938 163.4
[M+K]+ 262.98872 153.2
[M+H-H2O]+ 207.02282 137.5
[M+HCOO]- 269.02376 162.8
[M+CH3COO]- 283.03941 184.6
[M+Na-2H]- 245.00023 147.9
[M]+ 224.02501 151.1
[M]- 224.02611 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