CID 12218867

4-hydroxy-2,3,9-trimethoxypterocarpan

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=CC2=C(C=C1)C3COC4=C(C(=C(C=C4C3O2)OC)OC)O
InChI
InChI=1S/C18H18O6/c1-20-9-4-5-10-12-8-23-17-11(16(12)24-13(10)6-9)7-14(21-2)18(22-3)15(17)19/h4-7,12,16,19H,8H2,1-3H3
InChIKey
APDOGYRSSCEXNB-UHFFFAOYSA-N
Compound name
2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 172.9
[M+Na]+ 353.09957 186.6
[M+NH4]+ 348.14417 181.1
[M+K]+ 369.07351 182.8
[M-H]- 329.10307 177.9
[M+Na-2H]- 351.08502 174.3
[M]+ 330.10980 176.3
[M]- 330.11090 176.3
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.