CID 203095

Brn 0327208

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₂

SMILES

CCOC(=O)C1(CCN(CC1)CCNC2=CC=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

YJESBDXQZRYQFI-UHFFFAOYSA-N

Compound name

ethyl 1-(2-anilinoethyl)-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 352.2151 Da
Monoisotopic Mass: 4.1
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	187.6
[M+Na]+	375.204318	189.7
[M-H]-	351.207824	194.0
[M+NH4]+	370.248923	199.6
[M+K]+	391.178258	185.1
[M+H-H2O]+	335.212360	176.7
[M+HCOO]-	397.213301	205.5
[M+CH3COO]-	411.228951	214.5
[M+Na-2H]-	373.189766	190.4
[M]+	352.21455142	184.2
[M]-	352.21564858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe