CID 101019998

Hdm2boa-glucoside

Structural Information

Molecular Formula
C17H23NO11
SMILES
COC1=C(C2=C(C=C1)N(C(=O)C(O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)OC
InChI
InChI=1S/C17H23NO11/c1-24-8-5-4-7-13(14(8)25-2)28-17(15(23)18(7)26-3)29-16-12(22)11(21)10(20)9(6-19)27-16/h4-5,9-12,16-17,19-22H,6H2,1-3H3/t9-,10-,11+,12-,16+,17?/m1/s1
InChIKey
AJLYPYKZKJKHKI-FPUYRSMXSA-N
Compound name
4,7,8-trimethoxy-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

417.1271 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13438 193.7
[M+Na]+ 440.11632 202.3
[M+NH4]+ 435.16092 195.4
[M+K]+ 456.09026 202.3
[M-H]- 416.11982 194.5
[M+Na-2H]- 438.10177 190.6
[M]+ 417.12655 194.5
[M]- 417.12765 194.5
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.