CID 22833592

2-(acetylamino)-1,5-anhydro-2-deoxy-3-o-b-d-galactopyranosyl-d-arabino-hex-1-enitol

Structural Information

Molecular Formula
C14H23NO10
SMILES
CC(=O)NC1=CO[C@@H]([C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CO
InChI
InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-7(2-16)10(20)13(6)25-14-12(22)11(21)9(19)8(3-17)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9+,10-,11+,12-,13-,14+/m1/s1
InChIKey
SXLFMZWGFIBWMJ-QTGWYDPFSA-N
Compound name
N-[(2R,3S,4R)-3-hydroxy-2-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1322 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13948 181.6
[M+Na]+ 388.12142 186.2
[M+NH4]+ 383.16602 182.6
[M+K]+ 404.09536 188.1
[M-H]- 364.12492 181.2
[M+Na-2H]- 386.10687 177.4
[M]+ 365.13165 181.2
[M]- 365.13275 181.2
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.