CID 670684

N-(3-chloro-4-methylphenyl)-2-(2-pyridinylsulfanyl)acetamide

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂OS

SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)Cl

InChI

InChI=1S/C14H13ClN2OS/c1-10-5-6-11(8-12(10)15)17-13(18)9-19-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)

InChIKey

BQVAQOUSAUIQSV-UHFFFAOYSA-N

Compound name

N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.0437 Da
Monoisotopic Mass: 3.6
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]+	293.050976	162.6
[M+Na]+	315.032918	171.2
[M-H]-	291.036424	168.2
[M+NH4]+	310.077523	178.0
[M+K]+	331.006858	164.8
[M+H-H2O]+	275.040960	155.3
[M+HCOO]-	337.041901	176.3
[M+CH3COO]-	351.057551	200.5
[M+Na-2H]-	313.018366	165.3
[M]+	292.04315142	166.5
[M]-	292.04424858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.