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 175.6
[M+Na]+ 342.12312 181.3
[M-H]- 318.12662 182.6
[M+NH4]+ 337.16772 190.8
[M+K]+ 358.09706 177.0
[M+H-H2O]+ 302.13116 167.2
[M+HCOO]- 364.13210 196.0
[M+CH3COO]- 378.14775 211.0
[M+Na-2H]- 340.10857 179.8
[M]+ 319.13335 182.0
[M]- 319.13445 182.0
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.