CID 5316752

Diboa-glucoside

Structural Information

Molecular Formula
C14H17NO9
SMILES
C1=CC=C2C(=C1)N(C(=O)C(O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14?/m1/s1
InChIKey
OUSLYTBGQGKTME-BJPDSMLBSA-N
Compound name
4-hydroxy-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
3
Annotation Hits

9
References

22
Patents

343.09033 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09761 175.5
[M+Na]+ 366.07955 184.6
[M+NH4]+ 361.12415 178.6
[M+K]+ 382.05349 184.0
[M-H]- 342.08305 176.7
[M+Na-2H]- 364.06500 173.8
[M]+ 343.08978 176.5
[M]- 343.09088 176.5
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.