CID 15060135

Licofuranone

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=CCC1=C(C(=C(C=C1O)O)C2C(=O)C3=C(O2)C=C(C=C3)O)OC)C
InChI
InChI=1S/C20H20O6/c1-10(2)4-6-12-14(22)9-15(23)17(19(12)25-3)20-18(24)13-7-5-11(21)8-16(13)26-20/h4-5,7-9,20-23H,6H2,1-3H3
InChIKey
WLDXQYSLYHUZTM-UHFFFAOYSA-N
Compound name
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

17
Patents

356.12598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.3
[M+Na]+ 379.11520 191.1
[M-H]- 355.11870 187.8
[M+NH4]+ 374.15980 195.3
[M+K]+ 395.08914 187.6
[M+H-H2O]+ 339.12324 176.3
[M+HCOO]- 401.12418 198.6
[M+CH3COO]- 415.13983 211.3
[M+Na-2H]- 377.10065 180.7
[M]+ 356.12543 186.2
[M]- 356.12653 186.2
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