CID 60493

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

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CNC1=CC=C(C=C1)OCCCCCCCCOC2=CC=C(C=C2)NC
InChI
InChI=1S/C22H32N2O2/c1-23-19-9-13-21(14-10-19)25-17-7-5-3-4-6-8-18-26-22-15-11-20(24-2)12-16-22/h9-16,23-24H,3-8,17-18H2,1-2H3
InChIKey
BOIAUIFMWFPBPJ-UHFFFAOYSA-N
Compound name
N-methyl-4-[8-[4-(methylamino)phenoxy]octoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.24637 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 192.0
[M+Na]+ 379.23559 203.5
[M+NH4]+ 374.28019 199.1
[M+K]+ 395.20953 194.0
[M-H]- 355.23909 197.4
[M+Na-2H]- 377.22104 199.5
[M]+ 356.24582 195.1
[M]- 356.24692 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.