CID 16077360

A-d-glucopyranoside, (1r,2r,3r,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl 2-deoxy-2-[(4-pyridinylcarbonyl)amino]-

Structural Information

Molecular Formula
C19H28N2O10
SMILES
C1[C@@H]([C@H]([C@H]([C@H](C1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C3=CC=NC=C3)O)O)O)CO
InChI
InChI=1S/C19H28N2O10/c22-6-9-5-10(14(25)17(28)13(9)24)30-19-12(16(27)15(26)11(7-23)31-19)21-18(29)8-1-3-20-4-2-8/h1-4,9-17,19,22-28H,5-7H2,(H,21,29)/t9-,10?,11-,12-,13-,14+,15-,16-,17-,19+/m1/s1
InChIKey
ULBWPUXEDCZXOU-DFGJDTHDSA-N
Compound name
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.1744 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18168 201.0
[M+Na]+ 467.16362 201.8
[M-H]- 443.16712 200.3
[M+NH4]+ 462.20822 201.9
[M+K]+ 483.13756 201.0
[M+H-H2O]+ 427.17166 192.0
[M+HCOO]- 489.17260 205.2
[M+CH3COO]- 503.18825 223.2
[M+Na-2H]- 465.14907 196.2
[M]+ 444.17385 195.4
[M]- 444.17495 195.4
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.