CID 44258660

5-hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone

Structural Information

Molecular Formula
C18H14O8
SMILES
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=C(C(=O)C(=CC3=O)OC)OC)O
InChI
InChI=1S/C18H14O8/c1-23-8-4-9(19)15-10(20)6-13(26-12(15)5-8)16-11(21)7-14(24-2)17(22)18(16)25-3/h4-7,19H,1-3H3
InChIKey
QAIQCPTUJVELPX-UHFFFAOYSA-N
Compound name
2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06888 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07616 174.8
[M+Na]+ 381.05810 186.4
[M-H]- 357.06160 183.6
[M+NH4]+ 376.10270 187.2
[M+K]+ 397.03204 185.6
[M+H-H2O]+ 341.06614 166.5
[M+HCOO]- 403.06708 195.4
[M+CH3COO]- 417.08273 215.4
[M+Na-2H]- 379.04355 178.4
[M]+ 358.06833 184.1
[M]- 358.06943 184.1
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.