CID 44257449

3,8-dihydroxy-9-methoxypterocarpan

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C=C2C3COC4=C(C3OC2=C1)C=CC(=C4)O)O
InChI
InChI=1S/C16H14O5/c1-19-15-6-14-10(5-12(15)18)11-7-20-13-4-8(17)2-3-9(13)16(11)21-14/h2-6,11,16-18H,7H2,1H3
InChIKey
FPPWIEZFMZZUPL-UHFFFAOYSA-N
Compound name
9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

286.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 161.0
[M+Na]+ 309.07336 174.8
[M+NH4]+ 304.11796 169.8
[M+K]+ 325.04730 171.0
[M-H]- 285.07686 166.0
[M+Na-2H]- 307.05881 163.0
[M]+ 286.08359 164.4
[M]- 286.08469 164.4
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

patents stripe