CID 10336604

(2s)-5,7-dimethoxy-3',4'-methylenedioxyflavanone

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC2=C(C(=O)C[C@H](O2)C3=CC4=C(C=C3)OCO4)C(=C1)OC
InChI
InChI=1S/C18H16O6/c1-20-11-6-16(21-2)18-12(19)8-14(24-17(18)7-11)10-3-4-13-15(5-10)23-9-22-13/h3-7,14H,8-9H2,1-2H3/t14-/m0/s1
InChIKey
MBVOWARNXXLUSL-AWEZNQCLSA-N
Compound name
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

328.0947 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe