CID 90657

4-nonyl-n-(4-nonylphenyl)aniline

Structural Information

Molecular Formula
C30H47N
SMILES
CCCCCCCCCC1=CC=C(C=C1)NC2=CC=C(C=C2)CCCCCCCCC
InChI
InChI=1S/C30H47N/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26,31H,3-18H2,1-2H3
InChIKey
FCQAFXHLHBGGSK-UHFFFAOYSA-N
Compound name
4-nonyl-N-(4-nonylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2782
Patents

421.37085 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.37813 217.8
[M+Na]+ 444.36007 230.0
[M+NH4]+ 439.40467 225.3
[M+K]+ 460.33401 217.0
[M-H]- 420.36357 223.7
[M+Na-2H]- 442.34552 224.4
[M]+ 421.37030 221.4
[M]- 421.37140 221.4
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

patents stripe