CID 43538

Acetanilide, 2-(diethylamino)-2'-methyl-n-(2-(p-chlorophenoxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₇ClN₂O₂

SMILES

CCN(CC)CC(=O)N(CCOC1=CC=C(C=C1)Cl)C2=CC=CC=C2C

InChI

InChI=1S/C21H27ClN2O2/c1-4-23(5-2)16-21(25)24(20-9-7-6-8-17(20)3)14-15-26-19-12-10-18(22)11-13-19/h6-13H,4-5,14-16H2,1-3H3

InChIKey

MOTXNTPNMBIOKO-UHFFFAOYSA-N

Compound name

N-[2-(4-chlorophenoxy)ethyl]-2-(diethylamino)-N-(2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.17612 Da
Monoisotopic Mass: 4.7
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]+	375.183396	193.1
[M+Na]+	397.165338	197.7
[M-H]-	373.168844	201.4
[M+NH4]+	392.209943	206.5
[M+K]+	413.139278	194.2
[M+H-H2O]+	357.173380	184.1
[M+HCOO]-	419.174321	213.2
[M+CH3COO]-	433.189971	228.8
[M+Na-2H]-	395.150786	193.4
[M]+	374.17557142	200.3
[M]-	374.17666858	200.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.