CID 853574

Ethyl 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetate

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CCOC(=O)CC1=CN2C=CSC2=N1
InChI
InChI=1S/C9H10N2O2S/c1-2-13-8(12)5-7-6-11-3-4-14-9(11)10-7/h3-4,6H,2,5H2,1H3
InChIKey
DSVFDEWSKWCGEY-UHFFFAOYSA-N
Compound name
ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

210.0463 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 144.3
[M+Na]+ 233.03552 155.7
[M-H]- 209.03902 147.7
[M+NH4]+ 228.08012 166.3
[M+K]+ 249.00946 153.8
[M+H-H2O]+ 193.04356 138.5
[M+HCOO]- 255.04450 163.9
[M+CH3COO]- 269.06015 182.5
[M+Na-2H]- 231.02097 146.3
[M]+ 210.04575 151.6
[M]- 210.04685 151.6
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