CID 60532

111935-92-3

Structural Information

Molecular Formula
C21H23NO2
SMILES
C1=CC=C2C=C(C=CC2=C1)OCCCCCOC3=CC=C(C=C3)N
InChI
InChI=1S/C21H23NO2/c22-19-9-12-20(13-10-19)23-14-4-1-5-15-24-21-11-8-17-6-2-3-7-18(17)16-21/h2-3,6-13,16H,1,4-5,14-15,22H2
InChIKey
DNEFVGDOXSNBTE-UHFFFAOYSA-N
Compound name
4-(5-naphthalen-2-yloxypentoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 178.9
[M+Na]+ 344.16210 193.7
[M+NH4]+ 339.20670 187.9
[M+K]+ 360.13604 183.6
[M-H]- 320.16560 185.2
[M+Na-2H]- 342.14755 188.0
[M]+ 321.17233 182.9
[M]- 321.17343 182.9
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.