CID 202908

13500-66-8

Structural Information

Molecular Formula

C₂₀H₂₇NO

SMILES

CCCCNCC(C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O

InChI

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

InChIKey

DTKIDTWZOXMKNZ-UHFFFAOYSA-N

Compound name

3-(butylamino)-2-methyl-1,1-diphenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.20926 Da
Monoisotopic Mass: 4.2
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	177.5
[M-H]-	296.201984	178.7
[M+NH4]+	315.243083	188.4
[M+K]+	336.172418	172.7
[M+H-H2O]+	280.206520	166.7
[M+HCOO]-	342.207461	194.2
[M+CH3COO]-	356.223111	205.6
[M+Na-2H]-	318.183926	179.0
[M]+	297.20871142	173.6
[M]-	297.20980858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe