CID 42607824

Ovaliflavanone c

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC4=C(C=C3)OCO4)O)C
InChI
InChI=1S/C21H20O5/c1-12(2)3-5-14-16(22)7-6-15-17(23)10-19(26-21(14)15)13-4-8-18-20(9-13)25-11-24-18/h3-4,6-9,19,22H,5,10-11H2,1-2H3
InChIKey
PAUXUELQYNEFMK-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 183.5
[M+Na]+ 375.12029 191.1
[M-H]- 351.12379 192.6
[M+NH4]+ 370.16489 195.7
[M+K]+ 391.09423 189.5
[M+H-H2O]+ 335.12833 177.0
[M+HCOO]- 397.12927 197.2
[M+CH3COO]- 411.14492 194.1
[M+Na-2H]- 373.10574 185.0
[M]+ 352.13052 186.1
[M]- 352.13162 186.1
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

No patent data available for this compound.