CID 87953

N-ethyl-4-octyl-n-(4-octylphenyl)aniline

Structural Information

Molecular Formula
C30H47N
SMILES
CCCCCCCCC1=CC=C(C=C1)N(CC)C2=CC=C(C=C2)CCCCCCCC
InChI
InChI=1S/C30H47N/c1-4-7-9-11-13-15-17-27-19-23-29(24-20-27)31(6-3)30-25-21-28(22-26-30)18-16-14-12-10-8-5-2/h19-26H,4-18H2,1-3H3
InChIKey
SCZZLKXIDKQDDI-UHFFFAOYSA-N
Compound name
N-ethyl-4-octyl-N-(4-octylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

421.37085 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.37813 216.7
[M+Na]+ 444.36007 217.3
[M-H]- 420.36357 221.7
[M+NH4]+ 439.40467 227.1
[M+K]+ 460.33401 210.8
[M+H-H2O]+ 404.36811 205.7
[M+HCOO]- 466.36905 236.8
[M+CH3COO]- 480.38470 240.1
[M+Na-2H]- 442.34552 213.9
[M]+ 421.37030 222.4
[M]- 421.37140 222.4
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