CID 899301

3-chloro-n-(4-methyl-1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula

C₁₁H₉ClN₂OS

SMILES

CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)

InChIKey

MXGUAAMFCPDOEZ-UHFFFAOYSA-N

Compound name

3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 252.0124 Da
Monoisotopic Mass: 3.1
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]+	253.01968	153.1
[M+Na]+	275.00162	163.1
[M-H]-	251.00512	159.5
[M+NH4]+	270.04622	172.1
[M+K]+	290.97556	157.8
[M+H-H2O]+	235.00966	146.9
[M+HCOO]-	297.01060	168.6
[M+CH3COO]-	311.02625	191.5
[M+Na-2H]-	272.98707	154.5
[M]+	252.01185	156.9
[M]-	252.01295	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe