CID 343080

Maxima isoflavone c

Structural Information

Molecular Formula

C₂₂H₂₀O₆

SMILES

CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3OC)OCO4)C

InChI

InChI=1S/C22H20O6/c1-13(2)6-7-25-14-4-5-15-19(8-14)26-11-17(22(15)23)16-9-20-21(28-12-27-20)10-18(16)24-3/h4-6,8-11H,7,12H2,1-3H3

InChIKey

HIMSTRVEHVBQCS-UHFFFAOYSA-N

Compound name

3-(6-methoxy-1,3-benzodioxol-5-yl)-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	381.133256	189.6
[M+Na]+	403.115198	198.8
[M-H]-	379.118704	200.6
[M+NH4]+	398.159803	201.3
[M+K]+	419.089138	198.5
[M+H-H2O]+	363.123240	182.2
[M+HCOO]-	425.124181	207.4
[M+CH3COO]-	439.139831	220.0
[M+Na-2H]-	401.100646	192.8
[M]+	380.12543142	198.3
[M]-	380.12652858	198.3

Literature stripe

literature stripe

Patent stripe

patents stripe