CID 7569

Bis(4-octylphenyl)amine

Structural Information

Molecular Formula
C28H43N
SMILES
CCCCCCCCC1=CC=C(C=C1)NC2=CC=C(C=C2)CCCCCCCC
InChI
InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
InChIKey
QAPVYZRWKDXNDK-UHFFFAOYSA-N
Compound name
4-octyl-N-(4-octylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

7104
Patents

393.33954 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.34682 206.6
[M+Na]+ 416.32876 208.0
[M-H]- 392.33226 210.6
[M+NH4]+ 411.37336 217.5
[M+K]+ 432.30270 200.6
[M+H-H2O]+ 376.33680 196.3
[M+HCOO]- 438.33774 227.0
[M+CH3COO]- 452.35339 230.9
[M+Na-2H]- 414.31421 205.8
[M]+ 393.33899 210.5
[M]- 393.34009 210.5
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

No patent data available for this compound.