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]+ 329.10198 172.1
[M+Na]+ 351.08392 180.1
[M-H]- 327.08742 179.5
[M+NH4]+ 346.12852 185.1
[M+K]+ 367.05786 178.8
[M+H-H2O]+ 311.09196 164.1
[M+HCOO]- 373.09290 190.0
[M+CH3COO]- 387.10855 207.7
[M+Na-2H]- 349.06937 175.2
[M]+ 328.09415 175.8
[M]- 328.09525 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.