CID 44257457

3,4,9-trihydroxypterocarpan

Structural Information

Molecular Formula
C15H12O5
SMILES
C1C2C(C3=C(O1)C(=C(C=C3)O)O)OC4=C2C=CC(=C4)O
InChI
InChI=1S/C15H12O5/c16-7-1-2-8-10-6-19-15-9(3-4-11(17)13(15)18)14(10)20-12(8)5-7/h1-5,10,14,16-18H,6H2
InChIKey
CLHTZHIBHTWFEM-UHFFFAOYSA-N
Compound name
6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,4,9-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

272.06848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.075756 154.7
[M+Na]+ 295.057698 164.6
[M-H]- 271.061204 159.5
[M+NH4]+ 290.102303 171.8
[M+K]+ 311.031638 162.2
[M+H-H2O]+ 255.065740 149.9
[M+HCOO]- 317.066681 169.0
[M+CH3COO]- 331.082331 167.0
[M+Na-2H]- 293.043146 161.3
[M]+ 272.06793142 156.3
[M]- 272.06902858 156.3
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.