CID 8944

Anileridine

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₂

SMILES

CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3

InChIKey

LKYQLAWMNBFNJT-UHFFFAOYSA-N

Compound name

ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 56
References: 14193
Patents: 352.2151 Da
Monoisotopic Mass: 3.7
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]+	353.222376	188.4
[M+Na]+	375.204318	191.6
[M-H]-	351.207824	194.8
[M+NH4]+	370.248923	200.5
[M+K]+	391.178258	186.7
[M+H-H2O]+	335.212360	177.9
[M+HCOO]-	397.213301	205.7
[M+CH3COO]-	411.228951	215.1
[M+Na-2H]-	373.189766	189.5
[M]+	352.21455142	184.5
[M]-	352.21564858	184.5

Literature stripe

literature stripe

Patent stripe

patents stripe