CID 203802

Piperidine, 4-aminomethyl-1-(p-methoxyphenethyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C21H28N2O
SMILES
COC1=CC=C(C=C1)CCN2CCC(CC2)(CN)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2O/c1-24-20-9-7-18(8-10-20)11-14-23-15-12-21(17-22,13-16-23)19-5-3-2-4-6-19/h2-10H,11-17,22H2,1H3
InChIKey
WSZRZPYIXGSIQA-UHFFFAOYSA-N
Compound name
[1-[2-(4-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.227426 181.4
[M+Na]+ 347.209368 185.1
[M-H]- 323.212874 187.8
[M+NH4]+ 342.253973 194.8
[M+K]+ 363.183308 179.7
[M+H-H2O]+ 307.217410 170.9
[M+HCOO]- 369.218351 199.7
[M+CH3COO]- 383.234001 210.6
[M+Na-2H]- 345.194816 184.1
[M]+ 324.21960142 177.1
[M]- 324.22069858 177.1
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.