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]+ 325.22743 181.4
[M+Na]+ 347.20937 185.1
[M-H]- 323.21287 187.8
[M+NH4]+ 342.25397 194.8
[M+K]+ 363.18331 179.7
[M+H-H2O]+ 307.21741 170.9
[M+HCOO]- 369.21835 199.7
[M+CH3COO]- 383.23400 210.6
[M+Na-2H]- 345.19482 184.1
[M]+ 324.21960 177.1
[M]- 324.22070 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.