CID 118726654

Moracin l

Structural Information

Molecular Formula
C19H16O5
SMILES
CC1=CCC2=C3C(=CC(=C2OC1)O)C=C(O3)C4=CC(=CC(=C4)O)O
InChI
InChI=1S/C19H16O5/c1-10-2-3-15-18-12(6-16(22)19(15)23-9-10)7-17(24-18)11-4-13(20)8-14(21)5-11/h2,4-8,20-22H,3,9H2,1H3
InChIKey
FQHZBTIVEUAARU-UHFFFAOYSA-N
Compound name
5-(5-hydroxy-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 176.7
[M+Na]+ 347.08898 189.9
[M+NH4]+ 342.13358 183.7
[M+K]+ 363.06292 187.0
[M-H]- 323.09248 182.3
[M+Na-2H]- 345.07443 180.7
[M]+ 324.09921 180.4
[M]- 324.10031 180.4
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.