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 220.8
[M+Na]+ 473.35024 219.4
[M-H]- 449.35374 224.0
[M+NH4]+ 468.39484 228.5
[M+K]+ 489.32418 212.2
[M+H-H2O]+ 433.35828 209.5
[M+HCOO]- 495.35922 241.0
[M+CH3COO]- 509.37487 241.9
[M+Na-2H]- 471.33569 219.1
[M]+ 450.36047 224.2
[M]- 450.36157 224.2
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.