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]+ 347.112536 175.1
[M+Na]+ 369.094478 185.0
[M-H]- 345.097984 181.2
[M+NH4]+ 364.139083 190.0
[M+K]+ 385.068418 184.5
[M+H-H2O]+ 329.102520 169.4
[M+HCOO]- 391.103461 189.8
[M+CH3COO]- 405.119111 211.6
[M+Na-2H]- 367.079926 179.5
[M]+ 346.10471142 183.0
[M]- 346.10580858 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.