CID 217782

Dtxsid50960221

Structural Information

Molecular Formula

C₂₀H₂₅N

SMILES

CN(C)CC1CCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N/c1-21(2)16-17-13-14-20(15-17,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3

InChIKey

MLEKMNUDCZETPN-UHFFFAOYSA-N

Compound name

1-(3,3-diphenylcyclopentyl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 279.1987 Da
Monoisotopic Mass: 5.0
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]+	280.205976	169.1
[M+Na]+	302.187918	173.5
[M-H]-	278.191424	179.4
[M+NH4]+	297.232523	188.5
[M+K]+	318.161858	169.5
[M+H-H2O]+	262.195960	160.5
[M+HCOO]-	324.196901	192.3
[M+CH3COO]-	338.212551	180.6
[M+Na-2H]-	300.173366	171.4
[M]+	279.19815142	166.7
[M]-	279.19924858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe