CID 54680473

10475-15-7

Structural Information

Molecular Formula

C₂₄H₁₈O₄

SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O

InChI

InChI=1S/C24H18O4/c25-20(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)22-23(26)18-13-7-8-14-21(18)28-24(22)27/h1-14,19,26H,15H2

InChIKey

PJKDVDQLFSFEBL-UHFFFAOYSA-N

Compound name

4-hydroxy-3-(3-oxo-1,3-diphenylpropyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 370.1205 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	371.12778	187.8
[M+Na]+	393.10972	194.4
[M-H]-	369.11322	197.6
[M+NH4]+	388.15432	197.8
[M+K]+	409.08366	190.1
[M+H-H2O]+	353.11776	177.7
[M+HCOO]-	415.11870	206.1
[M+CH3COO]-	429.13435	197.7
[M+Na-2H]-	391.09517	191.5
[M]+	370.11995	189.0
[M]-	370.12105	189.0

Literature stripe

literature stripe

Patent stripe

patents stripe