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]+ 303.086316 163.7
[M+Na]+ 325.068258 172.4
[M-H]- 301.071764 170.9
[M+NH4]+ 320.112863 178.5
[M+K]+ 341.042198 171.7
[M+H-H2O]+ 285.076300 158.2
[M+HCOO]- 347.077241 177.0
[M+CH3COO]- 361.092891 175.3
[M+Na-2H]- 323.053706 170.6
[M]+ 302.07849142 164.9
[M]- 302.07958858 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.