CID 44257455

2,8-dihydroxy-3,9,10-trimethoxypterocarpan

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=C(C=C2C3C(COC2=C1)C4=CC(=C(C(=C4O3)OC)OC)O)O
InChI
InChI=1S/C18H18O7/c1-21-14-6-13-9(5-11(14)19)15-10(7-24-13)8-4-12(20)17(22-2)18(23-3)16(8)25-15/h4-6,10,15,19-20H,7H2,1-3H3
InChIKey
RJKDCHOJONROOJ-UHFFFAOYSA-N
Compound name
3,9,10-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10526 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 175.1
[M+Na]+ 369.09448 185.0
[M-H]- 345.09798 181.2
[M+NH4]+ 364.13908 190.0
[M+K]+ 385.06842 184.5
[M+H-H2O]+ 329.10252 169.4
[M+HCOO]- 391.10346 189.8
[M+CH3COO]- 405.11911 211.6
[M+Na-2H]- 367.07993 179.5
[M]+ 346.10471 183.0
[M]- 346.10581 183.0
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

No patent data available for this compound.