CID 42607645

3'-formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone

Structural Information

Molecular Formula
C17H14O6
SMILES
CC1=C(C(=C(C(=C1O)C(=O)CC(=O)C2=CC=CC=C2)O)C=O)O
InChI
InChI=1S/C17H14O6/c1-9-15(21)11(8-18)17(23)14(16(9)22)13(20)7-12(19)10-5-3-2-4-6-10/h2-6,8,21-23H,7H2,1H3
InChIKey
QPVZZWBDGFERFN-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxy-3-methyl-5-(3-oxo-3-phenylpropanoyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 167.6
[M+Na]+ 337.06826 175.6
[M-H]- 313.07176 171.3
[M+NH4]+ 332.11286 180.1
[M+K]+ 353.04220 172.0
[M+H-H2O]+ 297.07630 160.6
[M+HCOO]- 359.07724 186.1
[M+CH3COO]- 373.09289 202.2
[M+Na-2H]- 335.05371 167.1
[M]+ 314.07849 169.5
[M]- 314.07959 169.5
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.