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 178.8
[M+Na]+ 365.13595 186.6
[M-H]- 341.13945 179.5
[M+NH4]+ 360.18055 192.0
[M+K]+ 381.10989 181.3
[M+H-H2O]+ 325.14399 173.6
[M+HCOO]- 387.14493 192.4
[M+CH3COO]- 401.16058 210.5
[M+Na-2H]- 363.12140 178.2
[M]+ 342.14618 180.1
[M]- 342.14728 180.1
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.