CID 11033908

3'-formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone

Structural Information

Molecular Formula
C17H16O5
SMILES
CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)O)C=O)O
InChI
InChI=1S/C17H16O5/c1-10-15(20)12(9-18)17(22)14(16(10)21)13(19)8-7-11-5-3-2-4-6-11/h2-6,9,20-22H,7-8H2,1H3
InChIKey
HKKGGXRAYMJKFW-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxy-3-methyl-5-(3-phenylpropanoyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

300.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.7
[M+Na]+ 323.08898 175.0
[M-H]- 299.09248 170.3
[M+NH4]+ 318.13358 180.1
[M+K]+ 339.06292 170.6
[M+H-H2O]+ 283.09702 159.7
[M+HCOO]- 345.09796 185.8
[M+CH3COO]- 359.11361 199.7
[M+Na-2H]- 321.07443 167.1
[M]+ 300.09921 168.4
[M]- 300.10031 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.