CID 3827237

N-[4-(phenylamino)phenyl]octadecanamide

Structural Information

Molecular Formula
C30H46N2O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C30H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-30(33)32-29-25-23-28(24-26-29)31-27-20-17-16-18-21-27/h16-18,20-21,23-26,31H,2-15,19,22H2,1H3,(H,32,33)
InChIKey
CUENUWMOXBCGNQ-UHFFFAOYSA-N
Compound name
N-(4-anilinophenyl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.36102 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.36830 224.2
[M+Na]+ 473.35024 233.8
[M+NH4]+ 468.39484 230.0
[M+K]+ 489.32418 222.3
[M-H]- 449.35374 229.1
[M+Na-2H]- 471.33569 229.7
[M]+ 450.36047 226.8
[M]- 450.36157 226.8
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

No patent data available for this compound.