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

7176
Patents

393.33954 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.346816 206.6
[M+Na]+ 416.328758 208.0
[M-H]- 392.332264 210.6
[M+NH4]+ 411.373363 217.5
[M+K]+ 432.302698 200.6
[M+H-H2O]+ 376.336800 196.3
[M+HCOO]- 438.337741 227.0
[M+CH3COO]- 452.353391 230.9
[M+Na-2H]- 414.314206 205.8
[M]+ 393.33899142 210.5
[M]- 393.34008858 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

literature stripe

Patent stripe

patents stripe