CID 43355659

1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H13N3O3S
SMILES
C1CC(N(C1)C(=O)CC2=CN3C=CSC3=N2)C(=O)O
InChI
InChI=1S/C12H13N3O3S/c16-10(15-3-1-2-9(15)11(17)18)6-8-7-14-4-5-19-12(14)13-8/h4-5,7,9H,1-3,6H2,(H,17,18)
InChIKey
KVPCZHGUALGOTE-UHFFFAOYSA-N
Compound name
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06775 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07503 163.7
[M+Na]+ 302.05697 173.0
[M-H]- 278.06047 168.0
[M+NH4]+ 297.10157 182.1
[M+K]+ 318.03091 170.9
[M+H-H2O]+ 262.06501 157.9
[M+HCOO]- 324.06595 178.6
[M+CH3COO]- 338.08160 175.4
[M+Na-2H]- 300.04242 159.8
[M]+ 279.06720 167.2
[M]- 279.06830 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.