CID 4629012

6as11as-36a9-trihydroxypterocarpan

Structural Information

Molecular Formula
C15H12O5
SMILES
C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O
InChI
InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2
InChIKey
QMXOFBXZEKTJIK-UHFFFAOYSA-N
Compound name
6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

1782
Patents

272.06848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 155.2
[M+Na]+ 295.05770 165.4
[M-H]- 271.06120 159.9
[M+NH4]+ 290.10230 174.1
[M+K]+ 311.03164 162.9
[M+H-H2O]+ 255.06574 150.3
[M+HCOO]- 317.06668 169.5
[M+CH3COO]- 331.08233 167.5
[M+Na-2H]- 293.04315 163.6
[M]+ 272.06793 156.8
[M]- 272.06903 156.8
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.