CID 77195052

Hmboa-glc

Structural Information

Molecular Formula
C15H19NO9
SMILES
COC1=CC2=C(C=C1)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)
InChIKey
PMBZSEOAOIYRMW-UHFFFAOYSA-N
Compound name
7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27
Patents

357.106 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11328 179.9
[M+Na]+ 380.09522 188.7
[M+NH4]+ 375.13982 182.9
[M+K]+ 396.06916 187.9
[M-H]- 356.09872 181.1
[M+Na-2H]- 378.08067 177.9
[M]+ 357.10545 180.9
[M]- 357.10655 180.9
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

patents stripe