CID 53911882

N,n'-ethane-1,2-diylbis(hydroxyoctadecan-1-amide)

Structural Information

Molecular Formula
C38H76N2O4
SMILES
C(CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCO)CCCCCCCCO
InChI
InChI=1S/C38H76N2O4/c41-35-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-37(43)39-33-34-40-38(44)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-36-42/h41-42H,1-36H2,(H,39,43)(H,40,44)
InChIKey
IEIBGVWGAHWHMM-UHFFFAOYSA-N
Compound name
18-hydroxy-N-[2-(18-hydroxyoctadecanoylamino)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

624.5805 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.587776 277.7
[M+Na]+ 647.569718 282.5
[M-H]- 623.573224 264.4
[M+NH4]+ 642.614323 272.8
[M+K]+ 663.543658 282.6
[M+H-H2O]+ 607.577760 273.2
[M+HCOO]- 669.578701 274.8
[M+CH3COO]- 683.594351 272.1
[M+Na-2H]- 645.555166 257.5
[M]+ 624.57995142 270.3
[M]- 624.58104858 270.3
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