CID 60384

Aniline, 4,4'-(pentamethylenedioxy)bis(n-methyl-, dihydrochloride

Structural Information

Molecular Formula

C₁₉H₂₆N₂O₂

SMILES

CNC1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)NC

InChI

InChI=1S/C19H26N2O2/c1-20-16-6-10-18(11-7-16)22-14-4-3-5-15-23-19-12-8-17(21-2)9-13-19/h6-13,20-21H,3-5,14-15H2,1-2H3

InChIKey

VNQYBPSCBJKDHT-UHFFFAOYSA-N

Compound name

N-methyl-4-[5-[4-(methylamino)phenoxy]pentoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 314.19943 Da
Monoisotopic Mass: 4.6
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]+	315.206706	175.9
[M+Na]+	337.188648	180.2
[M-H]-	313.192154	181.8
[M+NH4]+	332.233253	189.7
[M+K]+	353.162588	176.2
[M+H-H2O]+	297.196690	166.6
[M+HCOO]-	359.197631	201.0
[M+CH3COO]-	373.213281	213.3
[M+Na-2H]-	335.174096	180.6
[M]+	314.19888142	178.9
[M]-	314.19997858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe