CID 5393175

3,4-diphenyl-7-hydroxycoumarin

Structural Information

Molecular Formula

C₂₁H₁₄O₃

SMILES

C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C21H14O3/c22-16-11-12-17-18(13-16)24-21(23)20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H

InChIKey

AABUKWVVUWBZCS-UHFFFAOYSA-N

Compound name

7-hydroxy-3,4-diphenylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 11
Patents: 314.0943 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]+	315.10158	172.3
[M+Na]+	337.08352	182.0
[M-H]-	313.08702	183.0
[M+NH4]+	332.12812	185.5
[M+K]+	353.05746	177.0
[M+H-H2O]+	297.09156	162.9
[M+HCOO]-	359.09250	193.4
[M+CH3COO]-	373.10815	184.3
[M+Na-2H]-	335.06897	179.2
[M]+	314.09375	173.5
[M]-	314.09485	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe