CID 11742190

3'-geranyl-2',3,4,4'-tetrahydroxychalcone

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O)/C)C
InChI
InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-10-19-22(27)14-11-20(25(19)30)21(26)12-8-18-9-13-23(28)24(29)15-18/h5,7-9,11-15,27-30H,4,6,10H2,1-3H3/b12-8+,17-7+
InChIKey
WWJVSOYKRSDSDN-PIRRJUBYSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

408.19366 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20094 200.4
[M+Na]+ 431.18288 204.9
[M-H]- 407.18638 201.4
[M+NH4]+ 426.22748 208.5
[M+K]+ 447.15682 198.2
[M+H-H2O]+ 391.19092 192.9
[M+HCOO]- 453.19186 213.7
[M+CH3COO]- 467.20751 219.9
[M+Na-2H]- 429.16833 193.9
[M]+ 408.19311 200.2
[M]- 408.19421 200.2
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.