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 177.4
[M+Na]+ 344.16210 183.1
[M-H]- 320.16560 183.6
[M+NH4]+ 339.20670 191.7
[M+K]+ 360.13604 177.6
[M+H-H2O]+ 304.17014 168.1
[M+HCOO]- 366.17108 199.8
[M+CH3COO]- 380.18673 211.2
[M+Na-2H]- 342.14755 182.7
[M]+ 321.17233 179.3
[M]- 321.17343 179.3
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.