CID 81275

Sebacanilide

Structural Information

Molecular Formula
C22H28N2O2
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCCCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C22H28N2O2/c25-21(23-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(26)24-20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2,(H,23,25)(H,24,26)
InChIKey
ONCDVKZXXAGMSL-UHFFFAOYSA-N
Compound name
N,N'-diphenyldecanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

352.2151 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 188.8
[M+Na]+ 375.204318 190.0
[M-H]- 351.207824 193.5
[M+NH4]+ 370.248923 200.2
[M+K]+ 391.178258 185.2
[M+H-H2O]+ 335.212360 178.9
[M+HCOO]- 397.213301 211.3
[M+CH3COO]- 411.228951 218.7
[M+Na-2H]- 373.189766 190.9
[M]+ 352.21455142 189.1
[M]- 352.21564858 189.1
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