CID 11312486

Milleyanaflavone

Structural Information

Molecular Formula
C17H12O5
SMILES
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H12O5/c1-19-11-3-4-12-13(18)8-15(22-16(12)7-11)10-2-5-14-17(6-10)21-9-20-14/h2-8H,9H2,1H3
InChIKey
IXKYKSQHLUAYFH-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.06848 Da
Monoisotopic Mass

3.8
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

patents stripe