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 174.1
[M+Na]+ 320.19848 178.1
[M-H]- 296.20198 179.5
[M+NH4]+ 315.24308 188.8
[M+K]+ 336.17242 173.2
[M+H-H2O]+ 280.20652 165.2
[M+HCOO]- 342.20746 197.7
[M+CH3COO]- 356.22311 208.0
[M+Na-2H]- 318.18393 178.5
[M]+ 297.20871 176.3
[M]- 297.20981 176.3
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.