CID 11226

Phenoperidine

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO3/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/h3-12,21,25H,2,13-18H2,1H3
InChIKey
IPOPQVVNCFQFRK-UHFFFAOYSA-N
Compound name
ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

219
References

9786
Patents

367.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 192.4
[M+Na]+ 390.203968 194.1
[M-H]- 366.207474 197.4
[M+NH4]+ 385.248573 203.2
[M+K]+ 406.177908 189.7
[M+H-H2O]+ 350.212010 182.0
[M+HCOO]- 412.212951 206.5
[M+CH3COO]- 426.228601 213.0
[M+Na-2H]- 388.189416 192.6
[M]+ 367.21420142 189.0
[M]- 367.21529858 189.0
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