CID 46291

1,6-bis(p-methylaminomethylphenoxy)hexane dihydrochloride

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₂

SMILES

CNCC1=CC=C(C=C1)OCCCCCCOC2=CC=C(C=C2)CNC

InChI

InChI=1S/C22H32N2O2/c1-23-17-19-7-11-21(12-8-19)25-15-5-3-4-6-16-26-22-13-9-20(10-14-22)18-24-2/h7-14,23-24H,3-6,15-18H2,1-2H3

InChIKey

QVNDBVGYHXZTNT-UHFFFAOYSA-N

Compound name

N-methyl-1-[4-[6-[4-(methylaminomethyl)phenoxy]hexoxy]phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.24637 Da
Monoisotopic Mass: 3.7
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	189.2
[M+Na]+	379.235588	192.1
[M-H]-	355.239094	194.4
[M+NH4]+	374.280193	201.2
[M+K]+	395.209528	187.5
[M+H-H2O]+	339.243630	179.3
[M+HCOO]-	401.244571	213.2
[M+CH3COO]-	415.260221	222.2
[M+Na-2H]-	377.221036	192.3
[M]+	356.24582142	193.2
[M]-	356.24691858	193.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.