CID 4962101

852399-70-3

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂OS

SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)CCl

InChI

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

InChIKey

XHZMFHWLTWEYOK-UHFFFAOYSA-N

Compound name

N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.02806 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]+	255.035336	153.5
[M+Na]+	277.017278	163.8
[M-H]-	253.020784	158.9
[M+NH4]+	272.061883	174.2
[M+K]+	292.991218	159.8
[M+H-H2O]+	237.025320	147.6
[M+HCOO]-	299.026261	169.3
[M+CH3COO]-	313.041911	195.3
[M+Na-2H]-	275.002726	156.6
[M]+	254.02751142	161.0
[M]-	254.02860858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.