CID 46174045

Triboa-glucoside

Structural Information

Molecular Formula
C14H17NO10
SMILES
C1=CC2=C(C=C1O)OC(C(=O)N2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C14H17NO10/c16-4-8-9(18)10(19)11(20)13(24-8)25-14-12(21)15(22)6-2-1-5(17)3-7(6)23-14/h1-3,8-11,13-14,16-20,22H,4H2/t8-,9-,10+,11-,13+,14?/m1/s1
InChIKey
YCPMEKOJGFYFJJ-BJPDSMLBSA-N
Compound name
4,7-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

359.08524 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09252 178.7
[M+Na]+ 382.07446 187.1
[M+NH4]+ 377.11906 180.9
[M+K]+ 398.04840 187.6
[M-H]- 358.07796 179.0
[M+Na-2H]- 380.05991 175.8
[M]+ 359.08469 179.3
[M]- 359.08579 179.3
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.