CID 206922

28867-20-1

Structural Information

Molecular Formula

C₂₃H₃₆N₂O₂

SMILES

CCC(=O)OC1(CC(N(CC1(C)CN2CCCCC2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H36N2O2/c1-5-21(26)27-23(20-12-8-6-9-13-20)16-19(2)24(4)17-22(23,3)18-25-14-10-7-11-15-25/h6,8-9,12-13,19H,5,7,10-11,14-18H2,1-4H3

InChIKey

IVCDZNXOCOAKOB-UHFFFAOYSA-N

Compound name

[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.27768 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]+	373.284956	195.2
[M+Na]+	395.266898	197.7
[M-H]-	371.270404	200.1
[M+NH4]+	390.311503	207.8
[M+K]+	411.240838	193.9
[M+H-H2O]+	355.274940	184.4
[M+HCOO]-	417.275881	206.1
[M+CH3COO]-	431.291531	218.2
[M+Na-2H]-	393.252346	193.7
[M]+	372.27713142	190.3
[M]-	372.27822858	190.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.