CID 4082687

77016-78-5

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-3-21(4-2)16-11-10-15-12-17(20(23)24-18(15)13-16)19(22)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3

InChIKey

CPVJWBWVJUAOMV-UHFFFAOYSA-N

Compound name

3-benzoyl-7-(diethylamino)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2708
Patents: 321.1365 Da
Monoisotopic Mass: 4.3
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]+	322.14378	174.5
[M+Na]+	344.12572	190.0
[M+NH4]+	339.17032	182.7
[M+K]+	360.09966	182.2
[M-H]-	320.12922	181.5
[M+Na-2H]-	342.11117	183.0
[M]+	321.13595	178.9
[M]-	321.13705	178.9

Literature stripe

literature stripe

Patent stripe

patents stripe