CID 454887

Chembl20559

Structural Information

Molecular Formula
C20H22O5
SMILES
CC(C)COC1=C(C=C2C3COC4=C(C3OC2=C1)C=CC(=C4)OC)O
InChI
InChI=1S/C20H22O5/c1-11(2)9-23-19-8-18-14(7-16(19)21)15-10-24-17-6-12(22-3)4-5-13(17)20(15)25-18/h4-8,11,15,20-21H,9-10H2,1-3H3
InChIKey
JGUCMKGSUDQQQC-UHFFFAOYSA-N
Compound name
3-methoxy-9-(2-methylpropoxy)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 179.3
[M+Na]+ 365.13595 187.2
[M-H]- 341.13945 185.7
[M+NH4]+ 360.18055 194.6
[M+K]+ 381.10989 185.9
[M+H-H2O]+ 325.14399 173.0
[M+HCOO]- 387.14493 193.6
[M+CH3COO]- 401.16058 190.3
[M+Na-2H]- 363.12140 182.5
[M]+ 342.14618 185.0
[M]- 342.14728 185.0
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.