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

2331
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.