CID 14886014

7-hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone

Structural Information

Molecular Formula
C19H16O8
SMILES
COC1=C2C(=C(C(=C1)O)OC)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H16O8/c1-22-13-7-10(20)17(23-2)18-14(13)15(21)19(24-3)16(27-18)9-4-5-11-12(6-9)26-8-25-11/h4-7,20H,8H2,1-3H3
InChIKey
JTMCNUIYBADOHX-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0845 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09178 181.4
[M+Na]+ 395.07372 192.6
[M-H]- 371.07722 192.4
[M+NH4]+ 390.11832 193.2
[M+K]+ 411.04766 193.9
[M+H-H2O]+ 355.08176 174.6
[M+HCOO]- 417.08270 199.8
[M+CH3COO]- 431.09835 216.9
[M+Na-2H]- 393.05917 186.3
[M]+ 372.08395 192.7
[M]- 372.08505 192.7
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.