CID 42607825

Ovaliflavanone d

Structural Information

Molecular Formula
C26H28O5
SMILES
CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC(CC2=O)C3=CC4=C(C=C3)OCO4)C
InChI
InChI=1S/C26H28O5/c1-15(2)5-7-18-11-20-21(27)13-23(17-8-10-22-24(12-17)30-14-29-22)31-26(20)19(25(18)28)9-6-16(3)4/h5-6,8,10-12,23,28H,7,9,13-14H2,1-4H3
InChIKey
VRZNNJMFRSHNKF-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.19366 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20094 206.8
[M+Na]+ 443.18288 212.9
[M-H]- 419.18638 215.3
[M+NH4]+ 438.22748 216.2
[M+K]+ 459.15682 210.4
[M+H-H2O]+ 403.19092 199.8
[M+HCOO]- 465.19186 217.8
[M+CH3COO]- 479.20751 229.1
[M+Na-2H]- 441.16833 203.8
[M]+ 420.19311 209.9
[M]- 420.19421 209.9
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.