CID 42607697

4,2',4',6'-tetrahydroxy-3,5-diprenyldihydrochalcone

Structural Information

Molecular Formula
C25H30O5
SMILES
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)CCC(=O)C2=C(C=C(C=C2O)O)O)C
InChI
InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(12-19(25(18)30)9-6-16(3)4)7-10-21(27)24-22(28)13-20(26)14-23(24)29/h5-6,11-14,26,28-30H,7-10H2,1-4H3
InChIKey
YVGQVBTVRWWNNS-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

410.20932 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21660 200.9
[M+Na]+ 433.19854 205.8
[M-H]- 409.20204 202.1
[M+NH4]+ 428.24314 209.2
[M+K]+ 449.17248 199.9
[M+H-H2O]+ 393.20658 193.5
[M+HCOO]- 455.20752 213.9
[M+CH3COO]- 469.22317 222.6
[M+Na-2H]- 431.18399 193.7
[M]+ 410.20877 201.9
[M]- 410.20987 201.9
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

patents stripe