CID 3025252

Pyrrolidine, 1-(2-(benzyl(p-methoxybenzyl)amino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H28N2O
SMILES
COC1=CC=C(C=C1)CN(CCN2CCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H28N2O/c1-24-21-11-9-20(10-12-21)18-23(16-15-22-13-5-6-14-22)17-19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-18H2,1H3
InChIKey
XUAHEFGELDYUEO-UHFFFAOYSA-N
Compound name
N-benzyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.227426 180.4
[M+Na]+ 347.209368 183.0
[M-H]- 323.212874 188.6
[M+NH4]+ 342.253973 194.3
[M+K]+ 363.183308 179.1
[M+H-H2O]+ 307.217410 169.8
[M+HCOO]- 369.218351 202.0
[M+CH3COO]- 383.234001 213.3
[M+Na-2H]- 345.194816 181.4
[M]+ 324.21960142 179.9
[M]- 324.22069858 179.9
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.