CID 43481

Ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3
InChIKey
NCYHUVAPYMVPKC-UHFFFAOYSA-N
Compound name
ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 191.2
[M+Na]+ 388.188318 193.6
[M-H]- 364.191824 197.6
[M+NH4]+ 383.232923 202.7
[M+K]+ 404.162258 189.5
[M+H-H2O]+ 348.196360 180.5
[M+HCOO]- 410.197301 207.0
[M+CH3COO]- 424.212951 214.6
[M+Na-2H]- 386.173766 191.8
[M]+ 365.19855142 188.9
[M]- 365.19964858 188.9
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

No patent data available for this compound.