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

544
Patents

281.21436 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.221636 170.7
[M+Na]+ 304.203578 174.7
[M-H]- 280.207084 176.0
[M+NH4]+ 299.248183 186.1
[M+K]+ 320.177518 169.2
[M+H-H2O]+ 264.211620 162.0
[M+HCOO]- 326.212561 194.0
[M+CH3COO]- 340.228211 206.1
[M+Na-2H]- 302.189026 175.1
[M]+ 281.21381142 171.5
[M]- 281.21490858 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