CID 44257375

5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone

Structural Information

Molecular Formula
C20H18O8
SMILES
COC1=C(C(=C(C2=C1C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC)OC)OC
InChI
InChI=1S/C20H18O8/c1-22-16-14-15(21)11(10-5-6-12-13(7-10)28-9-27-12)8-26-17(14)19(24-3)20(25-4)18(16)23-2/h5-8H,9H2,1-4H3
InChIKey
HWBCSFORKNCICS-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

386.10016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 185.9
[M+Na]+ 409.08938 197.1
[M-H]- 385.09288 198.0
[M+NH4]+ 404.13398 197.8
[M+K]+ 425.06332 199.0
[M+H-H2O]+ 369.09742 178.7
[M+HCOO]- 431.09836 205.4
[M+CH3COO]- 445.11401 221.8
[M+Na-2H]- 407.07483 190.6
[M]+ 386.09961 199.2
[M]- 386.10071 199.2
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