CID 418389

Ethyl 1-benzyl-4-phenylpiperidine-4-carboxylate

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-2-24-20(23)21(19-11-7-4-8-12-19)13-15-22(16-14-21)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKey
DLCANSQBMBAXDJ-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

323.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 181.0
[M+Na]+ 346.17776 194.8
[M+NH4]+ 341.22236 190.6
[M+K]+ 362.15170 184.0
[M-H]- 322.18126 186.9
[M+Na-2H]- 344.16321 191.8
[M]+ 323.18799 184.9
[M]- 323.18909 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe