CID 16750

Dtxsid90945259

Structural Information

Molecular Formula

C₂₂H₃₃NO₃

SMILES

CCOC(=O)C1(CCN(CC1)CCCCC2CCCO2)C3=CC=CC=C3

InChI

InChI=1S/C22H33NO3/c1-2-25-21(24)22(19-9-4-3-5-10-19)13-16-23(17-14-22)15-7-6-11-20-12-8-18-26-20/h3-5,9-10,20H,2,6-8,11-18H2,1H3

InChIKey

KYEXKNZXSZSPFG-UHFFFAOYSA-N

Compound name

ethyl 1-[4-(oxolan-2-yl)butyl]-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16
Patents: 359.24603 Da
Monoisotopic Mass: 3.9
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]+	360.253306	191.2
[M+Na]+	382.235248	192.2
[M-H]-	358.238754	197.8
[M+NH4]+	377.279853	203.8
[M+K]+	398.209188	189.7
[M+H-H2O]+	342.243290	181.7
[M+HCOO]-	404.244231	205.4
[M+CH3COO]-	418.259881	212.1
[M+Na-2H]-	380.220696	189.5
[M]+	359.24548142	188.6
[M]-	359.24657858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe