CID 56863

Oxfeneridin

Structural Information

Molecular Formula

C₂₂H₂₇NO₃

SMILES

CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-2-26-21(25)22(19-11-7-4-8-12-19)13-15-23(16-14-22)17-20(24)18-9-5-3-6-10-18/h3-12,20,24H,2,13-17H2,1H3

InChIKey

DBDXZFAMJLGFGD-UHFFFAOYSA-N

Compound name

ethyl 1-(2-hydroxy-2-phenylethyl)-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 353.1991 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	354.20638	188.0
[M+Na]+	376.18832	190.2
[M-H]-	352.19182	193.3
[M+NH4]+	371.23292	199.4
[M+K]+	392.16226	186.0
[M+H-H2O]+	336.19636	177.9
[M+HCOO]-	398.19730	202.5
[M+CH3COO]-	412.21295	210.1
[M+Na-2H]-	374.17377	188.8
[M]+	353.19855	184.3
[M]-	353.19965	184.3

Literature stripe

literature stripe

Patent stripe

patents stripe