CID 12218868

2-methoxymedicarpin

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC2=C(C=C1)C3COC4=CC(=C(C=C4C3O2)OC)O
InChI
InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-14-7-13(18)16(20-2)6-11(14)17(12)22-15(10)5-9/h3-7,12,17-18H,8H2,1-2H3
InChIKey
YVBGQNQUTOVRER-UHFFFAOYSA-N
Compound name
2,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No patent data available for this compound.