CID 42607702

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

Structural Information

Molecular Formula
C25H30O6
SMILES
CC(=CCC1=C(C(=CC(=C1)CCC(=O)C2=C(C=C(C(=C2O)CC=C(C)C)O)O)O)O)C
InChI
InChI=1S/C25H30O6/c1-14(2)5-8-17-11-16(12-22(29)24(17)30)7-10-19(26)23-21(28)13-20(27)18(25(23)31)9-6-15(3)4/h5-6,11-13,27-31H,7-10H2,1-4H3
InChIKey
BXFDBOZJOZAQPB-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

426.20422 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21150 203.5
[M+Na]+ 449.19344 208.6
[M-H]- 425.19694 203.7
[M+NH4]+ 444.23804 210.6
[M+K]+ 465.16738 203.0
[M+H-H2O]+ 409.20148 196.3
[M+HCOO]- 471.20242 215.1
[M+CH3COO]- 485.21807 224.3
[M+Na-2H]- 447.17889 195.4
[M]+ 426.20367 204.6
[M]- 426.20477 204.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe