CID 60646

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

Structural Information

Molecular Formula

C₂₁H₃₀N₂O₂

SMILES

CN(C)C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H30N2O2/c1-22(2)18-8-12-20(13-9-18)24-16-6-5-7-17-25-21-14-10-19(11-15-21)23(3)4/h8-15H,5-7,16-17H2,1-4H3

InChIKey

XXCCJRUSZFHCIO-UHFFFAOYSA-N

Compound name

4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 342.23074 Da
Monoisotopic Mass: 4.9
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]+	343.238016	187.0
[M+Na]+	365.219958	190.6
[M-H]-	341.223464	195.4
[M+NH4]+	360.264563	200.9
[M+K]+	381.193898	189.0
[M+H-H2O]+	325.228000	176.9
[M+HCOO]-	387.228941	212.3
[M+CH3COO]-	401.244591	225.9
[M+Na-2H]-	363.205406	188.9
[M]+	342.23019142	193.1
[M]-	342.23128858	193.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe