CID 60644

4,4'-(hexamethylenedioxy)bis(n,n-dimethylaniline) hydrochloride

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₂

SMILES

CN(C)C1=CC=C(C=C1)OCCCCCCOC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C22H32N2O2/c1-23(2)19-9-13-21(14-10-19)25-17-7-5-6-8-18-26-22-15-11-20(12-16-22)24(3)4/h9-16H,5-8,17-18H2,1-4H3

InChIKey

FNZIODUZCIHMEV-UHFFFAOYSA-N

Compound name

4-[6-[4-(dimethylamino)phenoxy]hexoxy]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.24637 Da
Monoisotopic Mass: 5.2
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]+	357.253646	191.6
[M+Na]+	379.235588	194.8
[M-H]-	355.239094	199.8
[M+NH4]+	374.280193	204.9
[M+K]+	395.209528	193.0
[M+H-H2O]+	339.243630	181.3
[M+HCOO]-	401.244571	216.6
[M+CH3COO]-	415.260221	228.8
[M+Na-2H]-	377.221036	193.0
[M]+	356.24582142	198.0
[M]-	356.24691858	198.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.