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
2
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 228.4
[M+Na]+ 486.37652 231.1
[M-H]- 462.38002 222.0
[M+NH4]+ 481.42112 225.0
[M+K]+ 502.35046 230.0
[M+H-H2O]+ 446.38456 225.3
[M+HCOO]- 508.38550 216.5
[M+CH3COO]- 522.40115 233.5
[M+Na-2H]- 484.36197 213.3
[M]+ 463.38675 221.1
[M]- 463.38785 221.1
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