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

17
Patents

624.5805 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.58778 277.7
[M+Na]+ 647.56972 282.5
[M-H]- 623.57322 264.4
[M+NH4]+ 642.61432 272.8
[M+K]+ 663.54366 282.6
[M+H-H2O]+ 607.57776 273.2
[M+HCOO]- 669.57870 274.8
[M+CH3COO]- 683.59435 272.1
[M+Na-2H]- 645.55517 257.5
[M]+ 624.57995 270.3
[M]- 624.58105 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