CID 10237057

Kinobeon a

Structural Information

Molecular Formula
C20H20O6
SMILES
COC1=CC(=C/C=C/C=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC
InChI
InChI=1S/C20H20O6/c1-23-15-9-13(10-16(24-2)19(15)21)7-5-6-8-14-11-17(25-3)20(22)18(12-14)26-4/h5-12H,1-4H3/b6-5+
InChIKey
KQTQOJWCKLPTGL-AATRIKPKSA-N
Compound name
4-[(E)-4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)but-2-enylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

43
Patents

356.12598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.7
[M+Na]+ 379.11520 195.2
[M+NH4]+ 374.15980 187.4
[M+K]+ 395.08914 188.5
[M-H]- 355.11870 184.3
[M+Na-2H]- 377.10065 186.6
[M]+ 356.12543 184.6
[M]- 356.12653 184.6
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