CID 4484393

4-hydroxy-3,9-dimethoxypterocarpan

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)OC
InChI
InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3
InChIKey
YHSXPHNOIMTWTH-UHFFFAOYSA-N
Compound name
3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 165.2
[M+Na]+ 323.08898 179.3
[M+NH4]+ 318.13358 174.2
[M+K]+ 339.06292 175.0
[M-H]- 299.09248 170.6
[M+Na-2H]- 321.07443 167.5
[M]+ 300.09921 168.9
[M]- 300.10031 168.9
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