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

688
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 187.6
[M+Na]+ 365.21996 198.7
[M+NH4]+ 360.26456 194.5
[M+K]+ 381.19390 189.9
[M-H]- 341.22346 192.7
[M+Na-2H]- 363.20541 194.4
[M]+ 342.23019 190.5
[M]- 342.23129 190.5
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