CID 25104578

3-linalylflaviolin-2-olate

Structural Information

Molecular Formula
C20H22O5
SMILES
CC(=CCCC(C)(C=C)C1=C(C2=C(C=C(C=C2O)O)C(=O)C1=O)O)C
InChI
InChI=1S/C20H22O5/c1-5-20(4,8-6-7-11(2)3)16-18(24)15-13(17(23)19(16)25)9-12(21)10-14(15)22/h5,7,9-10,21-22,24H,1,6,8H2,2-4H3
InChIKey
FYLGFULJHQBNJO-UHFFFAOYSA-N
Compound name
3-(3,7-dimethylocta-1,6-dien-3-yl)-4,5,7-trihydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.14673 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 180.5
[M+Na]+ 365.13595 191.0
[M+NH4]+ 360.18055 184.8
[M+K]+ 381.10989 186.6
[M-H]- 341.13945 179.0
[M+Na-2H]- 363.12140 181.0
[M]+ 342.14618 181.3
[M]- 342.14728 181.3
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.