CID 3025256

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

Structural Information

Molecular Formula
C22H30N2O2
SMILES
COC1=CC=C(C=C1)CN(CCN2CCCC2)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C22H30N2O2/c1-25-21-9-5-19(6-10-21)17-24(16-15-23-13-3-4-14-23)18-20-7-11-22(26-2)12-8-20/h5-12H,3-4,13-18H2,1-2H3
InChIKey
QMTXAERDXXQVDU-UHFFFAOYSA-N
Compound name
N,N-bis[(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 188.1
[M+Na]+ 377.21996 191.1
[M-H]- 353.22346 196.5
[M+NH4]+ 372.26456 201.0
[M+K]+ 393.19390 187.6
[M+H-H2O]+ 337.22800 177.4
[M+HCOO]- 399.22894 209.6
[M+CH3COO]- 413.24459 219.4
[M+Na-2H]- 375.20541 187.9
[M]+ 354.23019 189.8
[M]- 354.23129 189.8
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.