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
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 |