CID 480762

Ovaliflavanone b

Structural Information

Molecular Formula
C20H20O3
SMILES
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H20O3/c1-13(2)8-9-15-17(21)11-10-16-18(22)12-19(23-20(15)16)14-6-4-3-5-7-14/h3-8,10-11,19,21H,9,12H2,1-2H3
InChIKey
ZBNBGEUTJNZRKT-UHFFFAOYSA-N
Compound name
7-hydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

308.14124 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 173.0
[M+Na]+ 331.13046 179.9
[M-H]- 307.13396 179.7
[M+NH4]+ 326.17506 186.9
[M+K]+ 347.10440 175.7
[M+H-H2O]+ 291.13850 165.1
[M+HCOO]- 353.13944 189.7
[M+CH3COO]- 367.15509 205.6
[M+Na-2H]- 329.11591 175.3
[M]+ 308.14069 172.5
[M]- 308.14179 172.5
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