CID 147608

Hesperetin dihydrochalcone

Structural Information

Molecular Formula
C16H16O6
SMILES
COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C16H16O6/c1-22-15-5-3-9(6-12(15)19)2-4-11(18)16-13(20)7-10(17)8-14(16)21/h3,5-8,17,19-21H,2,4H2,1H3
InChIKey
RWKSTZADJBEXSQ-UHFFFAOYSA-N
Compound name
3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

360
Patents

304.0947 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10198 166.7
[M+Na]+ 327.08392 174.4
[M-H]- 303.08742 169.1
[M+NH4]+ 322.12852 179.2
[M+K]+ 343.05786 170.8
[M+H-H2O]+ 287.09196 159.8
[M+HCOO]- 349.09290 184.6
[M+CH3COO]- 363.10855 197.5
[M+Na-2H]- 325.06937 167.3
[M]+ 304.09415 168.4
[M]- 304.09525 168.4
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