CID 43168785

1094744-10-1

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂S

SMILES

CC1=C(SC=N1)C2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C13H11N3O2S/c1-8-12(19-7-14-8)13-15-9-4-2-3-5-10(9)16(13)6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)

InChIKey

WIRBKKOIWQAZNX-UHFFFAOYSA-N

Compound name

2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.0572 Da
Monoisotopic Mass: 2.3
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]+	274.064476	159.8
[M+Na]+	296.046418	172.1
[M-H]-	272.049924	164.5
[M+NH4]+	291.091023	177.3
[M+K]+	312.020358	167.5
[M+H-H2O]+	256.054460	153.2
[M+HCOO]-	318.055401	176.9
[M+CH3COO]-	332.071051	172.7
[M+Na-2H]-	294.031866	160.2
[M]+	273.05665142	165.7
[M]-	273.05774858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.