CID 11193108

211184-47-3

Structural Information

Molecular Formula
C39H78N2O5
SMILES
CCCCCCCCCCCCCCCC(=O)N(CCO)CC(CN(CCO)C(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C39H78N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(45)40(31-33-42)35-37(44)36-41(32-34-43)39(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,42-44H,3-36H2,1-2H3
InChIKey
PDRAHDYJNDYBNK-UHFFFAOYSA-N
Compound name
N-[3-[hexadecanoyl(2-hydroxyethyl)amino]-2-hydroxypropyl]-N-(2-hydroxyethyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

829
Patents

654.59106 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.59834 281.9
[M+Na]+ 677.58028 286.8
[M+NH4]+ 672.62488 285.2
[M+K]+ 693.55422 285.6
[M-H]- 653.58378 273.3
[M+Na-2H]- 675.56573 281.3
[M]+ 654.59051 280.7
[M]- 654.59161 280.7
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