CID 3015733

N,n'-dioctadecylsebacamide

Structural Information

Molecular Formula
C46H92N2O2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C46H92N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-43-47-45(49)41-37-33-29-30-34-38-42-46(50)48-44-40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3,(H,47,49)(H,48,50)
InChIKey
YORJEABCJCAFPB-UHFFFAOYSA-N
Compound name
N,N'-dioctadecyldecanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

422
Patents

704.7159 Da
Monoisotopic Mass

19.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.72318 302.8
[M+Na]+ 727.70512 309.4
[M-H]- 703.70862 286.1
[M+NH4]+ 722.74972 300.8
[M+K]+ 743.67906 312.7
[M+H-H2O]+ 687.71316 299.5
[M+HCOO]- 749.71410 300.3
[M+CH3COO]- 763.72975 295.2
[M+Na-2H]- 725.69057 281.5
[M]+ 704.71535 297.7
[M]- 704.71645 297.7
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