CID 6452413

Diethanolamine distearate stearamide

Structural Information

Molecular Formula
C58H113NO5
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C58H113NO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(60)59(52-54-63-57(61)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)53-55-64-58(62)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-55H2,1-3H3
InChIKey
PWKCDSIZVIREPL-UHFFFAOYSA-N
Compound name
2-[octadecanoyl(2-octadecanoyloxyethyl)amino]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

414
Patents

903.8619 Da
Monoisotopic Mass

24.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 904.86918 336.9
[M+Na]+ 926.85112 337.8
[M+NH4]+ 921.89572 339.7
[M+K]+ 942.82506 341.3
[M-H]- 902.85462 318.7
[M+Na-2H]- 924.83657 329.9
[M]+ 903.86135 333.4
[M]- 903.86245 333.4
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