CID 100751

Dehydroneotenone

Structural Information

Molecular Formula
C19H12O6
SMILES
COC1=CC2=C(C=C1C3=COC4=C(C3=O)C=C5C=COC5=C4)OCO2
InChI
InChI=1S/C19H12O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-8H,9H2,1H3
InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N
Compound name
6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

336.0634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07068 169.4
[M+Na]+ 359.05262 186.6
[M+NH4]+ 354.09722 178.3
[M+K]+ 375.02656 184.3
[M-H]- 335.05612 179.4
[M+Na-2H]- 357.03807 173.9
[M]+ 336.06285 175.1
[M]- 336.06395 175.1
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.