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]+ 355.238016 188.1
[M+Na]+ 377.219958 191.1
[M-H]- 353.223464 196.5
[M+NH4]+ 372.264563 201.0
[M+K]+ 393.193898 187.6
[M+H-H2O]+ 337.228000 177.4
[M+HCOO]- 399.228941 209.6
[M+CH3COO]- 413.244591 219.4
[M+Na-2H]- 375.205406 187.9
[M]+ 354.23019142 189.8
[M]- 354.23128858 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.