CID 14527030

3',4',6'-trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone

Structural Information

Molecular Formula
C25H30O5
SMILES
CC(=CCC1=C(C(C(=O)C(=C1O)C(=O)CCC2=CC=CC=C2)(CC=C(C)C)O)O)C
InChI
InChI=1S/C25H30O5/c1-16(2)10-12-19-22(27)21(20(26)13-11-18-8-6-5-7-9-18)24(29)25(30,23(19)28)15-14-17(3)4/h5-10,14,27-28,30H,11-13,15H2,1-4H3
InChIKey
MEQYBBPXPMXGBJ-UHFFFAOYSA-N
Compound name
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.20932 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21660 198.9
[M+Na]+ 433.19854 203.8
[M-H]- 409.20204 201.1
[M+NH4]+ 428.24314 209.6
[M+K]+ 449.17248 198.5
[M+H-H2O]+ 393.20658 192.4
[M+HCOO]- 455.20752 212.3
[M+CH3COO]- 469.22317 222.5
[M+Na-2H]- 431.18399 193.6
[M]+ 410.20877 199.7
[M]- 410.20987 199.7
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.