CID 14017298

3,9-dihydroxy-8-prenylpterocarpan

Structural Information

Molecular Formula
C20H20O4
SMILES
CC(=CCC1=CC2=C(C=C1O)OC3C2COC4=C3C=CC(=C4)O)C
InChI
InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-16-10-23-18-8-13(21)5-6-14(18)20(16)24-19(15)9-17(12)22/h3,5-9,16,20-22H,4,10H2,1-2H3
InChIKey
AZLNYSCXKUKIRV-UHFFFAOYSA-N
Compound name
8-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.13617 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 175.8
[M+Na]+ 347.12539 184.0
[M-H]- 323.12889 180.9
[M+NH4]+ 342.16999 191.3
[M+K]+ 363.09933 180.5
[M+H-H2O]+ 307.13343 170.1
[M+HCOO]- 369.13437 188.7
[M+CH3COO]- 383.15002 186.4
[M+Na-2H]- 345.11084 178.5
[M]+ 324.13562 177.6
[M]- 324.13672 177.6
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

No patent data available for this compound.