CID 72941698

Hydroxystearyl methylglucamine

Structural Information

Molecular Formula
C25H53NO6
SMILES
CCCCCCCCCCCCCCCCC(CN(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
InChI
InChI=1S/C25H53NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(28)18-26(2)19-22(29)24(31)25(32)23(30)20-27/h21-25,27-32H,3-20H2,1-2H3/t21?,22-,23+,24+,25+/m0/s1
InChIKey
QZWWLBNHCDXKFW-XRJQKLFWSA-N
Compound name
(2R,3R,4R,5S)-6-[2-hydroxyoctadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

463.3873 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.39458 232.0
[M+Na]+ 486.37652 235.1
[M+NH4]+ 481.42112 234.0
[M+K]+ 502.35046 232.1
[M-H]- 462.38002 227.0
[M+Na-2H]- 484.36197 234.9
[M]+ 463.38675 230.5
[M]- 463.38785 230.5
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