CID 306088

58905-44-5

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂OS

SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)CCl

InChI

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

InChIKey

ZVNIZGVXMHETAB-UHFFFAOYSA-N

Compound name

N-[4-(chloromethyl)-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: 2.6
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]+	267.03536	157.3
[M+Na]+	289.01730	170.1
[M+NH4]+	284.06190	166.4
[M+K]+	304.99124	162.7
[M-H]-	265.02080	161.5
[M+Na-2H]-	287.00275	165.2
[M]+	266.02753	161.0
[M]-	266.02863	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe