CID 59334

102395-69-7

Structural Information

Molecular Formula

C₂₆H₃₃NO₂

SMILES

CCOC(=O)C1(CCN(CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H33NO2/c1-2-29-24(28)25(22-12-6-3-7-13-22)18-20-27(21-19-25)26(16-10-5-11-17-26)23-14-8-4-9-15-23/h3-4,6-9,12-15H,2,5,10-11,16-21H2,1H3

InChIKey

OFTUIURQIJWEPK-UHFFFAOYSA-N

Compound name

ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 391.25113 Da
Monoisotopic Mass: 5.5
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]+	392.258406	201.4
[M+Na]+	414.240348	202.0
[M-H]-	390.243854	209.8
[M+NH4]+	409.284953	213.1
[M+K]+	430.214288	197.0
[M+H-H2O]+	374.248390	188.7
[M+HCOO]-	436.249331	213.7
[M+CH3COO]-	450.264981	207.7
[M+Na-2H]-	412.225796	201.3
[M]+	391.25058142	193.2
[M]-	391.25167858	193.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.