CID 45335

2-chloro-bis-n-(4-methylphenoxyethyl)ethylamine hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₆ClNO₂

SMILES

CC1=CC=C(C=C1)OCCN(CCOC2=CC=C(C=C2)C)CCCl

InChI

InChI=1S/C20H26ClNO2/c1-17-3-7-19(8-4-17)23-15-13-22(12-11-21)14-16-24-20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3

InChIKey

WGCKSPVUMKCVFU-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 347.1652 Da
Monoisotopic Mass: 4.9
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]+	348.172476	184.8
[M+Na]+	370.154418	190.6
[M-H]-	346.157924	191.8
[M+NH4]+	365.199023	199.2
[M+K]+	386.128358	185.9
[M+H-H2O]+	330.162460	176.2
[M+HCOO]-	392.163401	204.5
[M+CH3COO]-	406.179051	218.1
[M+Na-2H]-	368.139866	187.1
[M]+	347.16465142	192.4
[M]-	347.16574858	192.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.