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
3
Annotation Hits

6
References

1898
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 157.0
[M+Na]+ 295.05770 170.2
[M+NH4]+ 290.10230 167.1
[M+K]+ 311.03164 165.0
[M-H]- 271.06120 161.4
[M+Na-2H]- 293.04315 160.4
[M]+ 272.06793 160.3
[M]- 272.06903 160.3
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