CID 44260079

3'-hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone

Structural Information

Molecular Formula
C21H20O10
SMILES
COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(O2)C(=C4C(=C3OC)OCO4)OC)OC
InChI
InChI=1S/C21H20O10/c1-24-11-7-9(6-10(22)15(11)25-2)14-18(27-4)13(23)12-16(26-3)20-21(30-8-29-20)19(28-5)17(12)31-14/h6-7,22H,8H2,1-5H3
InChIKey
WUDSCDNDSIMTCN-UHFFFAOYSA-N
Compound name
6-(3-hydroxy-4,5-dimethoxyphenyl)-4,7,9-trimethoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

432.10565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11293 196.1
[M+Na]+ 455.09487 207.1
[M-H]- 431.09837 207.3
[M+NH4]+ 450.13947 205.5
[M+K]+ 471.06881 210.0
[M+H-H2O]+ 415.10291 188.7
[M+HCOO]- 477.10385 213.7
[M+CH3COO]- 491.11950 230.4
[M+Na-2H]- 453.08032 199.2
[M]+ 432.10510 211.6
[M]- 432.10620 211.6
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