CID 77755

N,n'-hexane-1,6-diyldistearamide

Structural Information

Molecular Formula
C42H84N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41(45)43-39-35-31-32-36-40-44-42(46)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46)
InChIKey
SLZWSYPJQQIDJB-UHFFFAOYSA-N
Compound name
N-[6-(octadecanoylamino)hexyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2443
Patents

648.65326 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.66054 290.1
[M+Na]+ 671.64248 297.4
[M-H]- 647.64598 274.9
[M+NH4]+ 666.68708 288.2
[M+K]+ 687.61642 299.1
[M+H-H2O]+ 631.65052 287.2
[M+HCOO]- 693.65146 289.1
[M+CH3COO]- 707.66711 284.4
[M+Na-2H]- 669.62793 270.4
[M]+ 648.65271 285.1
[M]- 648.65381 285.1
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