CID 129320482

7,2,2'-trihydroxy-4',5'-methylenedioxyisoflav-3-ene

Structural Information

Molecular Formula
C16H14O6
SMILES
C1C2=C(C=C(C=C2)O)OC[C@@]1(C3=CC4=C(C=C3O)OCO4)O
InChI
InChI=1S/C16H14O6/c17-10-2-1-9-6-16(19,7-20-13(9)3-10)11-4-14-15(5-12(11)18)22-8-21-14/h1-5,17-19H,6-8H2/t16-/m0/s1
InChIKey
HQMOTYNSXCURDB-INIZCTEOSA-N
Compound name
(3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-2,4-dihydrochromene-3,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.07904 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 163.7
[M+Na]+ 325.06826 172.4
[M-H]- 301.07176 170.9
[M+NH4]+ 320.11286 178.5
[M+K]+ 341.04220 171.7
[M+H-H2O]+ 285.07630 158.2
[M+HCOO]- 347.07724 177.0
[M+CH3COO]- 361.09289 175.3
[M+Na-2H]- 323.05371 170.6
[M]+ 302.07849 164.9
[M]- 302.07959 164.9
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.