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

literature stripe

Patent stripe

patents stripe