CID 101680908

Chebi:145934

Structural Information

Molecular Formula
C24H43NO13
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCCCCCCC(=O)OC)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C24H43NO13/c1-13(28)25-17-19(31)22(38-24-21(33)20(32)18(30)14(11-26)36-24)15(12-27)37-23(17)35-10-8-6-4-3-5-7-9-16(29)34-2/h14-15,17-24,26-27,30-33H,3-12H2,1-2H3,(H,25,28)/t14-,15-,17-,18+,19-,20+,21-,22-,23-,24+/m1/s1
InChIKey
GHFINFLCQVDPOQ-CYABAIRNSA-N
Compound name
methyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.27344 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.28072 228.3
[M+Na]+ 576.26266 228.3
[M+NH4]+ 571.30726 235.8
[M+K]+ 592.23660 236.3
[M-H]- 552.26616 237.9
[M+Na-2H]- 574.24811 219.3
[M]+ 553.27289 226.1
[M]- 553.27399 226.1
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

No patent data available for this compound.