CID 101479399

Dehydromunduserone

Structural Information

Molecular Formula
C19H16O6
SMILES
COC1=CC2=C(C=C1)C(=O)C3=C(O2)COC4=CC(=C(C=C43)OC)OC
InChI
InChI=1S/C19H16O6/c1-21-10-4-5-11-14(6-10)25-17-9-24-13-8-16(23-3)15(22-2)7-12(13)18(17)19(11)20/h4-8H,9H2,1-3H3
InChIKey
GKKDPLTUMYAGBF-UHFFFAOYSA-N
Compound name
2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.0947 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 174.5
[M+Na]+ 363.08392 185.6
[M-H]- 339.08742 183.1
[M+NH4]+ 358.12852 188.9
[M+K]+ 379.05786 185.3
[M+H-H2O]+ 323.09196 165.8
[M+HCOO]- 385.09290 192.5
[M+CH3COO]- 399.10855 187.1
[M+Na-2H]- 361.06937 182.8
[M]+ 340.09415 183.9
[M]- 340.09525 183.9
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.