CID 214334

5-dimethylaminomethyl-4-phenyl-1,2,5-trimethyl-4-piperidinol, benzoate, dihydrochloride

Structural Information

Molecular Formula

C₂₄H₃₂N₂O₂

SMILES

CC1CC(C(CN1C)(C)CN(C)C)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-19-16-24(21-14-10-7-11-15-21,23(2,17-25(3)4)18-26(19)5)28-22(27)20-12-8-6-9-13-20/h6-15,19H,16-18H2,1-5H3

InChIKey

CTOLFSIAASSWDZ-UHFFFAOYSA-N

Compound name

[5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.24637 Da
Monoisotopic Mass: 4.4
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]+	381.253646	194.2
[M+Na]+	403.235588	198.6
[M-H]-	379.239094	203.0
[M+NH4]+	398.280193	208.5
[M+K]+	419.209528	195.7
[M+H-H2O]+	363.243630	184.0
[M+HCOO]-	425.244571	212.0
[M+CH3COO]-	439.260221	225.7
[M+Na-2H]-	401.221036	195.2
[M]+	380.24582142	194.1
[M]-	380.24691858	194.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.