CID 60461

110684-98-5

Structural Information

Molecular Formula
C21H30N2O2
SMILES
C1=CC(=CC=C1N)OCCCCCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C21H30N2O2/c22-18-8-12-20(13-9-18)24-16-6-4-2-1-3-5-7-17-25-21-14-10-19(23)11-15-21/h8-15H,1-7,16-17,22-23H2
InChIKey
DFXGPEKKMXWHQU-UHFFFAOYSA-N
Compound name
4-[9-(4-aminophenoxy)nonoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

652
Patents

342.23074 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 185.4
[M+Na]+ 365.219958 188.9
[M-H]- 341.223464 189.8
[M+NH4]+ 360.264563 197.5
[M+K]+ 381.193898 183.7
[M+H-H2O]+ 325.228000 175.8
[M+HCOO]- 387.228941 208.6
[M+CH3COO]- 401.244591 218.1
[M+Na-2H]- 363.205406 187.0
[M]+ 342.23019142 187.1
[M]- 342.23128858 187.1
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

patents stripe