CID 61335

4-octyl-n-phenylaniline

Structural Information

Molecular Formula
C20H27N
SMILES
CCCCCCCCC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C20H27N/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17,21H,2-6,8,11H2,1H3
InChIKey
DMLLDZGHGNLZNW-UHFFFAOYSA-N
Compound name
4-octyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

563
Patents

281.21436 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.22164 170.7
[M+Na]+ 304.20358 174.7
[M-H]- 280.20708 176.0
[M+NH4]+ 299.24818 186.1
[M+K]+ 320.17752 169.2
[M+H-H2O]+ 264.21162 162.0
[M+HCOO]- 326.21256 194.0
[M+CH3COO]- 340.22821 206.1
[M+Na-2H]- 302.18903 175.1
[M]+ 281.21381 171.5
[M]- 281.21491 171.5
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

patents stripe