CID 736915

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

Structural Information

Molecular Formula

C₁₃H₁₃ClN₂OS

SMILES

CC1=CC=C(C=C1)N(C2=NC(=CS2)CCl)C(=O)C

InChI

InChI=1S/C13H13ClN2OS/c1-9-3-5-12(6-4-9)16(10(2)17)13-15-11(7-14)8-18-13/h3-6,8H,7H2,1-2H3

InChIKey

HXAJBOJONYEPHY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.0437 Da
Monoisotopic Mass: 3.0
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]+	281.050976	162.1
[M+Na]+	303.032918	171.4
[M-H]-	279.036424	169.7
[M+NH4]+	298.077523	180.7
[M+K]+	319.006858	167.0
[M+H-H2O]+	263.040960	155.3
[M+HCOO]-	325.041901	177.5
[M+CH3COO]-	339.057551	200.8
[M+Na-2H]-	301.018366	161.9
[M]+	280.04315142	167.9
[M]-	280.04424858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe