CID 54592464

N-(1,3-benzothiazol-2-yl)-2-chloro-n-methylacetamide

Structural Information

Molecular Formula

C₁₀H₉ClN₂OS

SMILES

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

InChI

InChI=1S/C10H9ClN2OS/c1-13(9(14)6-11)10-12-7-4-2-3-5-8(7)15-10/h2-5H,6H2,1H3

InChIKey

DKHPUSRJYYCQLY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.0124 Da
Monoisotopic Mass: 2.7
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]+	241.019676	148.8
[M+Na]+	263.001618	159.6
[M-H]-	239.005124	154.4
[M+NH4]+	258.046223	170.2
[M+K]+	278.975558	155.8
[M+H-H2O]+	223.009660	143.2
[M+HCOO]-	285.010601	165.0
[M+CH3COO]-	299.026251	192.3
[M+Na-2H]-	260.987066	152.5
[M]+	240.01185142	156.0
[M]-	240.01294858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.