CID 3064205

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

Structural Information

Molecular Formula
C22H30N2O
SMILES
COC1=CC=C(C=C1)CN(CCN2CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H30N2O/c1-25-22-12-10-21(11-13-22)19-24(18-20-8-4-2-5-9-20)17-16-23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-19H2,1H3
InChIKey
BCGLRCLZBGFICX-UHFFFAOYSA-N
Compound name
N-benzyl-N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 184.7
[M+Na]+ 361.22502 185.9
[M-H]- 337.22852 191.9
[M+NH4]+ 356.26962 195.9
[M+K]+ 377.19896 181.7
[M+H-H2O]+ 321.23306 173.1
[M+HCOO]- 383.23400 203.6
[M+CH3COO]- 397.24965 216.8
[M+Na-2H]- 359.21047 186.8
[M]+ 338.23525 182.1
[M]- 338.23635 182.1
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.