CID 3041638

Brn 1501100

Structural Information

Molecular Formula

C₂₃H₃₆N₂O₂

SMILES

CCC(=O)OC1(CC(N(CC1C)CCN2CCCCC2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H36N2O2/c1-4-22(26)27-23(21-11-7-5-8-12-21)17-20(3)25(18-19(23)2)16-15-24-13-9-6-10-14-24/h5,7-8,11-12,19-20H,4,6,9-10,13-18H2,1-3H3

InChIKey

BXLWCIBKXBTODH-UHFFFAOYSA-N

Compound name

[2,5-dimethyl-4-phenyl-1-(2-piperidin-1-ylethyl)piperidin-4-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.27768 Da
Monoisotopic Mass: 4.0
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]+	373.284956	196.6
[M+Na]+	395.266898	197.9
[M-H]-	371.270404	201.0
[M+NH4]+	390.311503	207.1
[M+K]+	411.240838	193.7
[M+H-H2O]+	355.274940	185.3
[M+HCOO]-	417.275881	207.3
[M+CH3COO]-	431.291531	218.6
[M+Na-2H]-	393.252346	193.9
[M]+	372.27713142	191.2
[M]-	372.27822858	191.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.