CID 3049518

4h-1-benzopyran-4-one, 2-(diethylamino)-

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

CCN(CC)C1=CC(=O)C2=CC=CC=C2O1

InChI

InChI=1S/C13H15NO2/c1-3-14(4-2)13-9-11(15)10-7-5-6-8-12(10)16-13/h5-9H,3-4H2,1-2H3

InChIKey

YROQGDCTFDQWPP-UHFFFAOYSA-N

Compound name

2-(diethylamino)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 217.11028 Da
Monoisotopic Mass: 3.0
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]+	218.11756	146.3
[M+Na]+	240.09950	160.7
[M+NH4]+	235.14410	155.5
[M+K]+	256.07344	153.6
[M-H]-	216.10300	151.6
[M+Na-2H]-	238.08495	153.6
[M]+	217.10973	149.9
[M]-	217.11083	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe