CID 12069327

Licoagroaurone

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(=CCC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)O)O)/C2=O)O)C
InChI
InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3/b18-10-
InChIKey
GKIZWUHTCYQZHL-ZDLGFXPLSA-N
Compound name
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

8
Patents

338.11542 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.9
[M+Na]+ 361.10464 187.6
[M-H]- 337.10814 184.2
[M+NH4]+ 356.14924 192.6
[M+K]+ 377.07858 182.5
[M+H-H2O]+ 321.11268 173.1
[M+HCOO]- 383.11362 195.4
[M+CH3COO]- 397.12927 206.3
[M+Na-2H]- 359.09009 177.8
[M]+ 338.11487 180.2
[M]- 338.11597 180.2
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