CID 45378

N,n-dimethyl-2-(mesityl(phenyl)methoxy)ethylamine hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₇NO

SMILES

CC1=CC(=C(C(=C1)C)C(C2=CC=CC=C2)OCCN(C)C)C

InChI

InChI=1S/C20H27NO/c1-15-13-16(2)19(17(3)14-15)20(22-12-11-21(4)5)18-9-7-6-8-10-18/h6-10,13-14,20H,11-12H2,1-5H3

InChIKey

CRYYVXVCECPCES-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-[phenyl-(2,4,6-trimethylphenyl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.20926 Da
Monoisotopic Mass: 4.5
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]+	298.216536	174.4
[M+Na]+	320.198478	180.1
[M-H]-	296.201984	182.2
[M+NH4]+	315.243083	190.3
[M+K]+	336.172418	177.3
[M+H-H2O]+	280.206520	165.9
[M+HCOO]-	342.207461	197.4
[M+CH3COO]-	356.223111	214.6
[M+Na-2H]-	318.183926	175.4
[M]+	297.20871142	178.1
[M]-	297.20980858	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.