CID 3049987

N,n-dimethyl-2-aminomethyl-4,4-diphenylcyclohexylacetate hydrochloride

Structural Information

Molecular Formula

C₂₃H₂₉NO₂

SMILES

CC(=O)OC1CCC(CC1CN(C)C)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO2/c1-18(25)26-22-14-15-23(16-19(22)17-24(2)3,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22H,14-17H2,1-3H3

InChIKey

FQILCSMUZCOZHX-UHFFFAOYSA-N

Compound name

[2-[(dimethylamino)methyl]-4,4-diphenylcyclohexyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.21982 Da
Monoisotopic Mass: 4.7
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]+	352.227096	187.9
[M+Na]+	374.209038	190.8
[M-H]-	350.212544	197.5
[M+NH4]+	369.253643	202.3
[M+K]+	390.182978	187.7
[M+H-H2O]+	334.217080	178.1
[M+HCOO]-	396.218021	207.3
[M+CH3COO]-	410.233671	219.3
[M+Na-2H]-	372.194486	188.6
[M]+	351.21927142	186.1
[M]-	351.22036858	186.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.