CID 44257463

8-hydroxy-3,4,9,10-tetramethoxypterocarpan

Structural Information

Molecular Formula
C19H20O7
SMILES
COC1=C(C2=C(C=C1)C3C(CO2)C4=CC(=C(C(=C4O3)OC)OC)O)OC
InChI
InChI=1S/C19H20O7/c1-21-13-6-5-9-14-11(8-25-15(9)18(13)23-3)10-7-12(20)17(22-2)19(24-4)16(10)26-14/h5-7,11,14,20H,8H2,1-4H3
InChIKey
AAAQSJHHXMDZCO-UHFFFAOYSA-N
Compound name
3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

360.1209 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 179.8
[M+Na]+ 383.11012 189.6
[M-H]- 359.11362 187.0
[M+NH4]+ 378.15472 194.7
[M+K]+ 399.08406 189.7
[M+H-H2O]+ 343.11816 173.6
[M+HCOO]- 405.11910 195.6
[M+CH3COO]- 419.13475 216.6
[M+Na-2H]- 381.09557 183.9
[M]+ 360.12035 189.5
[M]- 360.12145 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe