CID 23320

4,4'-(hexamethylenedioxy)dianiline dihydrochloride

Structural Information

Molecular Formula
C18H24N2O2
SMILES
C1=CC(=CC=C1N)OCCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C18H24N2O2/c19-15-5-9-17(10-6-15)21-13-3-1-2-4-14-22-18-11-7-16(20)8-12-18/h5-12H,1-4,13-14,19-20H2
InChIKey
GRFCDFDVGOXFPY-UHFFFAOYSA-N
Compound name
4-[6-(4-aminophenoxy)hexoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

905
Patents

300.18378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 174.0
[M+Na]+ 323.17300 185.8
[M+NH4]+ 318.21760 181.5
[M+K]+ 339.14694 177.7
[M-H]- 299.17650 179.2
[M+Na-2H]- 321.15845 181.6
[M]+ 300.18323 177.0
[M]- 300.18433 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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