CID 23724666

2',7-dihydroxy-4',5'-methylenedioxyisoflavone

Structural Information

Molecular Formula
C16H10O6
SMILES
C1OC2=C(O1)C=C(C(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O
InChI
InChI=1S/C16H10O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-6,17-18H,7H2
InChIKey
WMDDXGLVVGBJSO-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1
Patents

298.04773 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05501 161.3
[M+Na]+ 321.03695 172.5
[M-H]- 297.04045 170.8
[M+NH4]+ 316.08155 175.3
[M+K]+ 337.01089 171.8
[M+H-H2O]+ 281.04499 155.4
[M+HCOO]- 343.04593 179.2
[M+CH3COO]- 357.06158 174.5
[M+Na-2H]- 319.02240 168.4
[M]+ 298.04718 166.4
[M]- 298.04828 166.4
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