CID 2392260

50772-64-0

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂OS

SMILES

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCl

InChI

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

InChIKey

ANTVEXRUHJVROA-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 266.02808 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]+	267.035356	157.9
[M+Na]+	289.017298	166.8
[M-H]-	265.020804	165.3
[M+NH4]+	284.061903	176.7
[M+K]+	304.991238	162.6
[M+H-H2O]+	249.025340	151.0
[M+HCOO]-	311.026281	173.6
[M+CH3COO]-	325.041931	196.7
[M+Na-2H]-	287.002746	158.8
[M]+	266.02753142	162.9
[M]-	266.02862858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe