CID 91820368

10,2'-dihydroxy-4',5'-methylenedioxy-isoflav-8-ene-7-one

Structural Information

Molecular Formula
C16H16O6
SMILES
C1CC2(C[C@@H](COC2=CC1=O)C3=CC4=C(C=C3O)OCO4)O
InChI
InChI=1S/C16H16O6/c17-10-1-2-16(19)6-9(7-20-15(16)3-10)11-4-13-14(5-12(11)18)22-8-21-13/h3-5,9,18-19H,1-2,6-8H2/t9-,16?/m0/s1
InChIKey
DUJVBDSKLQCGPH-XUOZKRPMSA-N
Compound name
(3R)-4a-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-2H-chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

304.0947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10198 165.8
[M+Na]+ 327.08392 177.3
[M+NH4]+ 322.12852 174.8
[M+K]+ 343.05786 173.2
[M-H]- 303.08742 172.2
[M+Na-2H]- 325.06937 168.5
[M]+ 304.09415 169.3
[M]- 304.09525 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.