CID 14282628

3'-geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone

Structural Information

Molecular Formula
C26H32O6
SMILES
CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC(=C(C=C2)O)O)O)/C)C
InChI
InChI=1S/C26H32O6/c1-16(2)6-5-7-17(3)8-11-19-22(29)15-24(32-4)25(26(19)31)21(28)13-10-18-9-12-20(27)23(30)14-18/h6,8-9,12,14-15,27,29-31H,5,7,10-11,13H2,1-4H3/b17-8+
InChIKey
OPTNSSIVXUBMMA-CAOOACKPSA-N
Compound name
3-(3,4-dihydroxyphenyl)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methoxyphenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.21988 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.22716 208.1
[M+Na]+ 463.20910 212.3
[M-H]- 439.21260 209.1
[M+NH4]+ 458.25370 215.0
[M+K]+ 479.18304 207.1
[M+H-H2O]+ 423.21714 200.2
[M+HCOO]- 485.21808 220.9
[M+CH3COO]- 499.23373 227.7
[M+Na-2H]- 461.19455 200.6
[M]+ 440.21933 210.9
[M]- 440.22043 210.9
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.