CID 42607651

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

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC(=CC(=C1C(=O)CC(=O)C2=CC=CC=C2)O)O
InChI
InChI=1S/C16H14O5/c1-21-15-8-11(17)7-13(19)16(15)14(20)9-12(18)10-5-3-2-4-6-10/h2-8,17,19H,9H2,1H3
InChIKey
UNEJIRZYTHVVEM-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-6-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]+ 287.09142 162.3
[M+Na]+ 309.07336 169.4
[M-H]- 285.07686 166.8
[M+NH4]+ 304.11796 176.3
[M+K]+ 325.04730 166.4
[M+H-H2O]+ 269.08140 155.0
[M+HCOO]- 331.08234 182.3
[M+CH3COO]- 345.09799 197.2
[M+Na-2H]- 307.05881 163.9
[M]+ 286.08359 164.1
[M]- 286.08469 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.