CID 42607650

2',6',beta-trihydroxy-4'-methoxychalcone

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC(=C(C(=C1)O)C(=O)CC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C16H14O5/c1-21-11-7-13(18)16(14(19)8-11)15(20)9-12(17)10-5-3-2-4-6-10/h2-8,18-19H,9H2,1H3
InChIKey
GLBWMOHCXNPFLS-UHFFFAOYSA-N
Compound name
1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091416 162.3
[M+Na]+ 309.073358 169.4
[M-H]- 285.076864 166.8
[M+NH4]+ 304.117963 176.3
[M+K]+ 325.047298 166.4
[M+H-H2O]+ 269.081400 155.0
[M+HCOO]- 331.082341 182.3
[M+CH3COO]- 345.097991 197.2
[M+Na-2H]- 307.058806 163.9
[M]+ 286.08359142 164.1
[M]- 286.08468858 164.1
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.