CID 2392255

2-chloro-n-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂OS

SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCl)C

InChI

InChI=1S/C11H11ClN2OS/c1-6-3-7(2)10-8(4-6)16-11(14-10)13-9(15)5-12/h3-4H,5H2,1-2H3,(H,13,14,15)

InChIKey

KWRIGKBFSMBPDF-UHFFFAOYSA-N

Compound name

2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.02806 Da
Monoisotopic Mass: 3.2
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]+	255.035336	153.0
[M+Na]+	277.017278	164.9
[M-H]-	253.020784	157.6
[M+NH4]+	272.061883	173.7
[M+K]+	292.991218	159.5
[M+H-H2O]+	237.025320	147.9
[M+HCOO]-	299.026261	168.3
[M+CH3COO]-	313.041911	194.2
[M+Na-2H]-	275.002726	155.4
[M]+	254.02751142	159.9
[M]-	254.02860858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.