CID 46235

Benzylamine, n-(2-chloroethyl)-n-(4-methoxyphenoxyethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H22ClNO2
SMILES
COC1=CC=C(C=C1)OCCN(CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C18H22ClNO2/c1-21-17-7-9-18(10-8-17)22-14-13-20(12-11-19)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKey
AEPYIFAATZTWTE-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)-2-(4-methoxyphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1339 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14118 175.5
[M+Na]+ 342.12312 189.9
[M+NH4]+ 337.16772 184.3
[M+K]+ 358.09706 180.3
[M-H]- 318.12662 181.1
[M+Na-2H]- 340.10857 185.0
[M]+ 319.13335 179.6
[M]- 319.13445 179.6
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.