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]+ 325.22743 180.4
[M+Na]+ 347.20937 183.0
[M-H]- 323.21287 188.6
[M+NH4]+ 342.25397 194.3
[M+K]+ 363.18331 179.1
[M+H-H2O]+ 307.21741 169.8
[M+HCOO]- 369.21835 202.0
[M+CH3COO]- 383.23400 213.3
[M+Na-2H]- 345.19482 181.4
[M]+ 324.21960 179.9
[M]- 324.22070 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.