CID 86289597

7-o-geranyl-2-o,3-dimethylflaviolin

Structural Information

Molecular Formula
C22H26O5
SMILES
CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2)OC/C=C(\C)/CCC=C(C)C)O)OC
InChI
InChI=1S/C22H26O5/c1-13(2)7-6-8-14(3)9-10-27-16-11-17-19(18(23)12-16)20(24)15(4)22(26-5)21(17)25/h7,9,11-12,23H,6,8,10H2,1-5H3/b14-9+
InChIKey
JSICQLYEVMVRNL-NTEUORMPSA-N
Compound name
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-hydroxy-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

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 186.7
[M+Na]+ 393.16722 194.0
[M-H]- 369.17072 189.7
[M+NH4]+ 388.21182 200.1
[M+K]+ 409.14116 189.8
[M+H-H2O]+ 353.17526 180.0
[M+HCOO]- 415.17620 203.4
[M+CH3COO]- 429.19185 220.7
[M+Na-2H]- 391.15267 183.8
[M]+ 370.17745 192.1
[M]- 370.17855 192.1
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.