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
2
Annotation Hits

0
References

47
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 223.2
[M+Na]+ 470.34522 226.2
[M-H]- 446.34872 216.6
[M+NH4]+ 465.38982 218.6
[M+K]+ 486.31916 223.7
[M+H-H2O]+ 430.35326 212.5
[M+HCOO]- 492.35420 214.9
[M+CH3COO]- 506.36985 228.4
[M+Na-2H]- 468.33067 208.4
[M]+ 447.35545 215.7
[M]- 447.35655 215.7
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