CID 154804627

(6ar,11ar)-9-methoxy-6a,11a-dihydro-6h-[1]benzofuro[3,2-c]chromene-3,10-diol

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O)O
InChI
InChI=1S/C16H14O5/c1-19-12-5-4-9-11-7-20-13-6-8(17)2-3-10(13)15(11)21-16(9)14(12)18/h2-6,11,15,17-18H,7H2,1H3/t11-,15-/m0/s1
InChIKey
JAAWOQQDCOFLRV-NHYWBVRUSA-N
Compound name
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091416 159.4
[M+Na]+ 309.073358 169.2
[M-H]- 285.076864 165.3
[M+NH4]+ 304.117963 176.6
[M+K]+ 325.047298 167.4
[M+H-H2O]+ 269.081400 154.1
[M+HCOO]- 331.082341 174.8
[M+CH3COO]- 345.097991 171.8
[M+Na-2H]- 307.058806 165.8
[M]+ 286.08359142 162.9
[M]- 286.08468858 162.9
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

No patent data available for this compound.