CID 54682146

24579-14-4

Structural Information

Molecular Formula
C19H16O5
SMILES
CC(=O)CC(C1=CC=C(C=C1)O)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3
InChIKey
RRZWAMPDGRWRPF-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

8
Patents

324.09976 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 172.8
[M+Na]+ 347.08898 187.5
[M+NH4]+ 342.13358 179.5
[M+K]+ 363.06292 181.8
[M-H]- 323.09248 177.2
[M+Na-2H]- 345.07443 179.0
[M]+ 324.09921 176.2
[M]- 324.10031 176.2
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