CID 66575

N-octyl-n-phenylaniline

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7643
Patents

281.21436 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.221636 171.5
[M+Na]+ 304.203578 174.8
[M-H]- 280.207084 178.0
[M+NH4]+ 299.248183 187.2
[M+K]+ 320.177518 170.6
[M+H-H2O]+ 264.211620 162.4
[M+HCOO]- 326.212561 195.3
[M+CH3COO]- 340.228211 208.4
[M+Na-2H]- 302.189026 175.8
[M]+ 281.21381142 173.1
[M]- 281.21490858 173.1
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