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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17248 184.8
[M+Na]+ 370.15442 190.6
[M-H]- 346.15792 191.8
[M+NH4]+ 365.19902 199.2
[M+K]+ 386.12836 185.9
[M+H-H2O]+ 330.16246 176.2
[M+HCOO]- 392.16340 204.5
[M+CH3COO]- 406.17905 218.1
[M+Na-2H]- 368.13987 187.1
[M]+ 347.16465 192.4
[M]- 347.16575 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.