CID 13888644

5,8-dihydroxy-7-methoxyflavanone 8-o-acetate

Structural Information

Molecular Formula
C18H16O6
SMILES
CC(=O)OC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C18H16O6/c1-10(19)23-17-15(22-2)9-13(21)16-12(20)8-14(24-18(16)17)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3
InChIKey
LXSSYOWDEYWICX-UHFFFAOYSA-N
Compound name
(5-hydroxy-7-methoxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 172.1
[M+Na]+ 351.083918 180.1
[M-H]- 327.087424 179.5
[M+NH4]+ 346.128523 185.1
[M+K]+ 367.057858 178.8
[M+H-H2O]+ 311.091960 164.1
[M+HCOO]- 373.092901 190.0
[M+CH3COO]- 387.108551 207.7
[M+Na-2H]- 349.069366 175.2
[M]+ 328.09415142 175.8
[M]- 328.09524858 175.8
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.