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

12
Patents

352.2151 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.8
[M+Na]+ 375.20432 190.0
[M-H]- 351.20782 193.5
[M+NH4]+ 370.24892 200.2
[M+K]+ 391.17826 185.2
[M+H-H2O]+ 335.21236 178.9
[M+HCOO]- 397.21330 211.3
[M+CH3COO]- 411.22895 218.7
[M+Na-2H]- 373.18977 190.9
[M]+ 352.21455 189.1
[M]- 352.21565 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