CID 3029031

Pheneridine

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCOC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-2-25-21(24)22(20-11-7-4-8-12-20)14-17-23(18-15-22)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3
InChIKey
IUNKCJPURQMGKG-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1-(2-phenylethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

234
Patents

337.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 185.0
[M+Na]+ 360.193418 188.1
[M-H]- 336.196924 191.6
[M+NH4]+ 355.238023 197.9
[M+K]+ 376.167358 183.4
[M+H-H2O]+ 320.201460 174.3
[M+HCOO]- 382.202401 201.8
[M+CH3COO]- 396.218051 209.5
[M+Na-2H]- 358.178866 187.1
[M]+ 337.20365142 182.2
[M]- 337.20474858 182.2
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