CID 58618

101651-61-0

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂OS

SMILES

CCN(CC)CCSCC(=O)NC1=CC=CC=C1Cl

InChI

InChI=1S/C14H21ClN2OS/c1-3-17(4-2)9-10-19-11-14(18)16-13-8-6-5-7-12(13)15/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)

InChIKey

HSOILNAMJORLRC-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 300.10632 Da
Monoisotopic Mass: 2.7
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]+	301.113596	169.6
[M+Na]+	323.095538	174.9
[M-H]-	299.099044	173.9
[M+NH4]+	318.140143	186.3
[M+K]+	339.069478	170.4
[M+H-H2O]+	283.103580	163.0
[M+HCOO]-	345.104521	184.4
[M+CH3COO]-	359.120171	209.4
[M+Na-2H]-	321.080986	169.8
[M]+	300.10577142	175.6
[M]-	300.10686858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe