CID 413621

6327-73-7

Structural Information

Molecular Formula

C₂₀H₂₇NO

SMILES

CCC(C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,22H,4,15-16H2,1-3H3

InChIKey

WKQWJEXZFBJISX-UHFFFAOYSA-N

Compound name

6-(dimethylamino)-4,4-diphenylhexan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.20926 Da
Monoisotopic Mass: 4.3
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	174.8
[M+Na]+	320.198478	177.7
[M-H]-	296.201984	180.3
[M+NH4]+	315.243083	189.1
[M+K]+	336.172418	174.3
[M+H-H2O]+	280.206520	166.5
[M+HCOO]-	342.207461	194.7
[M+CH3COO]-	356.223111	209.0
[M+Na-2H]-	318.183926	178.2
[M]+	297.20871142	174.9
[M]-	297.20980858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe