CID 115917

1,6-bis(4-aminoethylphenoxy)hexane dihydrochloride

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₂

SMILES

C1=CC(=CC=C1CCN)OCCCCCCOC2=CC=C(C=C2)CCN

InChI

InChI=1S/C22H32N2O2/c23-15-13-19-5-9-21(10-6-19)25-17-3-1-2-4-18-26-22-11-7-20(8-12-22)14-16-24/h5-12H,1-4,13-18,23-24H2

InChIKey

RLSPHJLMBXYZDV-UHFFFAOYSA-N

Compound name

2-[4-[6-[4-(2-aminoethyl)phenoxy]hexoxy]phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 356.24637 Da
Monoisotopic Mass: 3.6
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]+	357.253646	189.8
[M+Na]+	379.235588	192.8
[M-H]-	355.239094	194.0
[M+NH4]+	374.280193	201.3
[M+K]+	395.209528	187.4
[M+H-H2O]+	339.243630	180.0
[M+HCOO]-	401.244571	212.6
[M+CH3COO]-	415.260221	221.1
[M+Na-2H]-	377.221036	190.9
[M]+	356.24582142	191.8
[M]-	356.24691858	191.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe