CID 86289595

6-linalyl-2-o,3-dimethylflaviolin-7-olate

Structural Information

Molecular Formula
C22H26O5
SMILES
CC1=C(C(=O)C2=CC(=C(C(=C2C1=O)O)C(C)(CCC=C(C)C)C=C)O)OC
InChI
InChI=1S/C22H26O5/c1-7-22(5,10-8-9-12(2)3)17-15(23)11-14-16(20(17)26)18(24)13(4)21(27-6)19(14)25/h7,9,11,23,26H,1,8,10H2,2-6H3
InChIKey
VOXTWWMONIHUIK-UHFFFAOYSA-N
Compound name
6-(3,7-dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-2-methoxy-3-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.178 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 188.8
[M+Na]+ 393.16722 199.7
[M+NH4]+ 388.21182 193.0
[M+K]+ 409.14116 194.7
[M-H]- 369.17072 187.7
[M+Na-2H]- 391.15267 189.1
[M]+ 370.17745 189.8
[M]- 370.17855 189.8
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.