CID 87614

N-octadecyl-d-gluconamide

Structural Information

Molecular Formula
C24H49NO6
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C24H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-24(31)23(30)22(29)21(28)20(27)19-26/h20-23,26-30H,2-19H2,1H3,(H,25,31)/t20-,21-,22+,23-/m1/s1
InChIKey
NXLFPCFLIXFFRH-BXXSPATCSA-N
Compound name
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-octadecylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

447.356 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.36328 225.6
[M+Na]+ 470.34522 229.2
[M+NH4]+ 465.38982 226.7
[M+K]+ 486.31916 225.9
[M-H]- 446.34872 220.4
[M+Na-2H]- 468.33067 228.9
[M]+ 447.35545 224.0
[M]- 447.35655 224.0
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