CID 4127793

4-octyloxydiphenylamine

Structural Information

Molecular Formula
C20H27NO
SMILES
CCCCCCCCOC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C20H27NO/c1-2-3-4-5-6-10-17-22-20-15-13-19(14-16-20)21-18-11-8-7-9-12-18/h7-9,11-16,21H,2-6,10,17H2,1H3
InChIKey
KCVLQWYAQLRYBF-UHFFFAOYSA-N
Compound name
4-octoxy-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

297.20926 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 175.9
[M+Na]+ 320.19848 189.3
[M+NH4]+ 315.24308 184.5
[M+K]+ 336.17242 179.1
[M-H]- 296.20198 181.6
[M+Na-2H]- 318.18393 185.0
[M]+ 297.20871 179.5
[M]- 297.20981 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe