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

689
Patents

342.23074 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 185.4
[M+Na]+ 365.21996 188.9
[M-H]- 341.22346 189.8
[M+NH4]+ 360.26456 197.5
[M+K]+ 381.19390 183.7
[M+H-H2O]+ 325.22800 175.8
[M+HCOO]- 387.22894 208.6
[M+CH3COO]- 401.24459 218.1
[M+Na-2H]- 363.20541 187.0
[M]+ 342.23019 187.1
[M]- 342.23129 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