CID 13873188

Maximaisoflavone h

Structural Information

Molecular Formula
C17H12O5
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3OCO4
InChI
InChI=1S/C17H12O5/c1-19-11-4-2-10(3-5-11)13-8-20-16-12(15(13)18)6-7-14-17(16)22-9-21-14/h2-8H,9H2,1H3
InChIKey
ODNPGUYDUGIBPN-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-h]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 162.5
[M+Na]+ 319.05770 173.5
[M-H]- 295.06120 174.1
[M+NH4]+ 314.10230 177.8
[M+K]+ 335.03164 173.4
[M+H-H2O]+ 279.06574 156.0
[M+HCOO]- 341.06668 182.9
[M+CH3COO]- 355.08233 176.4
[M+Na-2H]- 317.04315 170.2
[M]+ 296.06793 169.3
[M]- 296.06903 169.3
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.