CID 44257468

3,9-dihydroxy-1-methoxy-10-prenylpterocarpan

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)C
InChI
InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3
InChIKey
YKTZRMXYANFKQR-UHFFFAOYSA-N
Compound name
1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

354.14673 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 183.1
[M+Na]+ 377.13595 195.8
[M+NH4]+ 372.18055 190.7
[M+K]+ 393.10989 191.8
[M-H]- 353.13945 187.5
[M+Na-2H]- 375.12140 183.0
[M]+ 354.14618 186.1
[M]- 354.14728 186.1
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.