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

3
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 178.9
[M+Na]+ 379.11520 187.4
[M-H]- 355.11870 185.9
[M+NH4]+ 374.15980 192.3
[M+K]+ 395.08914 183.6
[M+H-H2O]+ 339.12324 171.0
[M+HCOO]- 401.12418 200.5
[M+CH3COO]- 415.13983 214.8
[M+Na-2H]- 377.10065 178.3
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.