CID 44259872

5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone

Structural Information

Molecular Formula
C17H12O8
SMILES
COC1=C(OC2=CC3=C(C(=C2C1=O)O)OCO3)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C17H12O8/c1-22-17-14(21)12-10(5-11-16(13(12)20)24-6-23-11)25-15(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3
InChIKey
BBZORTSKYSEICL-UHFFFAOYSA-N
Compound name
6-(3,4-dihydroxyphenyl)-9-hydroxy-7-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27
Patents

344.05322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06050 172.6
[M+Na]+ 367.04244 183.9
[M-H]- 343.04594 181.3
[M+NH4]+ 362.08704 184.3
[M+K]+ 383.01638 184.0
[M+H-H2O]+ 327.05048 166.6
[M+HCOO]- 389.05142 188.7
[M+CH3COO]- 403.06707 184.9
[M+Na-2H]- 365.02789 177.9
[M]+ 344.05267 180.0
[M]- 344.05377 180.0
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