CID 135027

Refchem:568132

Structural Information

Molecular Formula

C₂₀H₂₇NO

SMILES

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

InChI

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

InChIKey

KYHAUJGXNUJCTC-UHFFFAOYSA-N

Compound name

6-(methylamino)-4,4-diphenylheptan-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 44
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	174.7
[M+Na]+	320.198478	177.2
[M-H]-	296.201984	178.8
[M+NH4]+	315.243083	188.3
[M+K]+	336.172418	173.0
[M+H-H2O]+	280.206520	166.8
[M+HCOO]-	342.207461	193.2
[M+CH3COO]-	356.223111	206.4
[M+Na-2H]-	318.183926	177.8
[M]+	297.20871142	173.0
[M]-	297.20980858	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe