CID 4684134

2-acetamido-5-chlorothiazole

Structural Information

Molecular Formula

C₅H₅ClN₂OS

SMILES

CC(=O)NC1=NC=C(S1)Cl

InChI

InChI=1S/C5H5ClN2OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,1H3,(H,7,8,9)

InChIKey

YLRXYIGXXMJPOP-UHFFFAOYSA-N

Compound name

N-(5-chloro-1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 175.98111 Da
Monoisotopic Mass: 2.1
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]+	176.988386	132.6
[M+Na]+	198.970328	142.7
[M-H]-	174.973834	135.8
[M+NH4]+	194.014933	154.6
[M+K]+	214.944268	139.4
[M+H-H2O]+	158.978370	127.6
[M+HCOO]-	220.979311	148.3
[M+CH3COO]-	234.994961	176.9
[M+Na-2H]-	196.955776	135.0
[M]+	175.98056142	135.8
[M]-	175.98165858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe