CID 44121

62674-79-7

Structural Information

Molecular Formula

C₁₉H₂₃ClN₂OS

SMILES

CN(C)CCCC(C1=CC=CC=C1SC2=CC=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C19H23ClN2OS/c1-22(2)13-5-7-17(19(21)23)16-6-3-4-8-18(16)24-15-11-9-14(20)10-12-15/h3-4,6,8-12,17H,5,7,13H2,1-2H3,(H2,21,23)

InChIKey

KCEJUVBPTILNAR-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenyl)sulfanylphenyl]-5-(dimethylamino)pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.12195 Da
Monoisotopic Mass: 4.2
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]+	363.129226	185.7
[M+Na]+	385.111168	190.7
[M-H]-	361.114674	192.5
[M+NH4]+	380.155773	199.3
[M+K]+	401.085108	184.9
[M+H-H2O]+	345.119210	177.9
[M+HCOO]-	407.120151	198.8
[M+CH3COO]-	421.135801	221.9
[M+Na-2H]-	383.096616	183.6
[M]+	362.12140142	190.1
[M]-	362.12249858	190.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.