CID 44258636

Kanzakiflavone 1

Structural Information

Molecular Formula
C17H12O7
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C4=C(C(=C3O2)O)OCO4)O
InChI
InChI=1S/C17H12O7/c1-21-9-4-2-8(3-5-9)11-6-10(18)12-13(19)16-17(23-7-22-16)14(20)15(12)24-11/h2-6,19-20H,7H2,1H3
InChIKey
ZVMXYXZXCSMOLC-UHFFFAOYSA-N
Compound name
4,9-dihydroxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.0583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06558 169.2
[M+Na]+ 351.04752 180.5
[M-H]- 327.05102 178.9
[M+NH4]+ 346.09212 182.1
[M+K]+ 367.02146 180.4
[M+H-H2O]+ 311.05556 163.1
[M+HCOO]- 373.05650 186.8
[M+CH3COO]- 387.07215 182.1
[M+Na-2H]- 349.03297 175.3
[M]+ 328.05775 176.5
[M]- 328.05885 176.5
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