CID 824089

2-chloro-n-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂OS

SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl

InChI

InChI=1S/C12H11ClN2OS/c1-8-2-4-9(5-3-8)10-7-17-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16)

InChIKey

OVZLZSDKRSUJAB-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 266.02808 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]+	267.035356	157.5
[M+Na]+	289.017298	167.2
[M-H]-	265.020804	163.8
[M+NH4]+	284.061903	176.0
[M+K]+	304.991238	161.6
[M+H-H2O]+	249.025340	151.1
[M+HCOO]-	311.026281	172.8
[M+CH3COO]-	325.041931	194.4
[M+Na-2H]-	287.002746	158.4
[M]+	266.02753142	161.7
[M]-	266.02862858	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe