CID 49859660

Eriodictyol dibenzoylmethane tautomer

Structural Information

Molecular Formula
C15H12O7
SMILES
C1=CC(=C(C=C1C(=O)CC(=O)C2=C(C=C(C=C2O)O)O)O)O
InChI
InChI=1S/C15H12O7/c16-8-4-12(20)15(13(21)5-8)14(22)6-10(18)7-1-2-9(17)11(19)3-7/h1-5,16-17,19-21H,6H2
InChIKey
UIRCARMQMYTLGE-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

304.0583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06558 166.5
[M+Na]+ 327.04752 177.3
[M+NH4]+ 322.09212 170.3
[M+K]+ 343.02146 175.2
[M-H]- 303.05102 165.8
[M+Na-2H]- 325.03297 169.6
[M]+ 304.05775 167.4
[M]- 304.05885 167.4
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