CID 44257261

7-prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone

Structural Information

Molecular Formula
C22H20O6
SMILES
CC(=CCOC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC)C
InChI
InChI=1S/C22H20O6/c1-13(2)8-9-25-18-7-5-15-20(23)16(11-26-21(15)22(18)24-3)14-4-6-17-19(10-14)28-12-27-17/h4-8,10-11H,9,12H2,1-3H3
InChIKey
ALIAPFPESXJZKP-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-8-methoxy-7-(3-methylbut-2-enoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

380.12598 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13326 189.6
[M+Na]+ 403.11520 198.8
[M-H]- 379.11870 200.6
[M+NH4]+ 398.15980 201.3
[M+K]+ 419.08914 198.5
[M+H-H2O]+ 363.12324 182.2
[M+HCOO]- 425.12418 207.4
[M+CH3COO]- 439.13983 220.0
[M+Na-2H]- 401.10065 192.8
[M]+ 380.12543 198.3
[M]- 380.12653 198.3
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