CID 672289

2-{6-phenylimidazo[2,1-b][1,3]thiazol-3-yl}acetic acid

Structural Information

Molecular Formula
C13H10N2O2S
SMILES
C1=CC=C(C=C1)C2=CN3C(=CSC3=N2)CC(=O)O
InChI
InChI=1S/C13H10N2O2S/c16-12(17)6-10-8-18-13-14-11(7-15(10)13)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKey
ZBDXJNSQBIUHPE-UHFFFAOYSA-N
Compound name
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

258.0463 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05358 155.9
[M+Na]+ 281.03552 167.4
[M-H]- 257.03902 161.6
[M+NH4]+ 276.08012 175.1
[M+K]+ 297.00946 163.0
[M+H-H2O]+ 241.04356 149.8
[M+HCOO]- 303.04450 174.4
[M+CH3COO]- 317.06015 169.2
[M+Na-2H]- 279.02097 157.2
[M]+ 258.04575 160.9
[M]- 258.04685 160.9
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