CID 672289

68347-91-1

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.05358	155.4
[M+Na]+	281.03552	168.4
[M+NH4]+	276.08012	163.7
[M+K]+	297.00946	163.7
[M-H]-	257.03902	157.8
[M+Na-2H]-	279.02097	161.8
[M]+	258.04575	158.3
[M]-	258.04685	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe