CID 13963929

6,7-dimethoxy-3',4'-methylenedioxyisoflavanone

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=C(C=C2C(=C1)C(=O)C(CO2)C3=CC4=C(C=C3)OCO4)OC
InChI
InChI=1S/C18H16O6/c1-20-15-6-11-14(7-16(15)21-2)22-8-12(18(11)19)10-3-4-13-17(5-10)24-9-23-13/h3-7,12H,8-9H2,1-2H3
InChIKey
QPCUKMJMYZFGRX-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 171.7
[M+Na]+ 351.08392 180.8
[M-H]- 327.08742 182.6
[M+NH4]+ 346.12852 185.6
[M+K]+ 367.05786 181.5
[M+H-H2O]+ 311.09196 165.0
[M+HCOO]- 373.09290 189.0
[M+CH3COO]- 387.10855 184.2
[M+Na-2H]- 349.06937 176.6
[M]+ 328.09415 177.8
[M]- 328.09525 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.