CID 42607670

3-geranyl-4,2',4'-trihydroxydihydrochalcone

Structural Information

Molecular Formula
C25H30O4
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1)CCC(=O)C2=C(C=C(C=C2)O)O)O)/C)C
InChI
InChI=1S/C25H30O4/c1-17(2)5-4-6-18(3)7-10-20-15-19(8-13-23(20)27)9-14-24(28)22-12-11-21(26)16-25(22)29/h5,7-8,11-13,15-16,26-27,29H,4,6,9-10,14H2,1-3H3/b18-7+
InChIKey
HCPVBSCLUKCMAC-CNHKJKLMSA-N
Compound name
1-(2,4-dihydroxyphenyl)-3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.21442 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.22170 199.0
[M+Na]+ 417.20364 202.8
[M-H]- 393.20714 200.9
[M+NH4]+ 412.24824 208.2
[M+K]+ 433.17758 196.5
[M+H-H2O]+ 377.21168 191.0
[M+HCOO]- 439.21262 213.4
[M+CH3COO]- 453.22827 219.7
[M+Na-2H]- 415.18909 193.5
[M]+ 394.21387 199.5
[M]- 394.21497 199.5
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.