CID 36230

Brn 0196275

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

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

InChI

InChI=1S/C14H15NO3/c1-3-15(4-2)14(17)13-9-11(16)10-7-5-6-8-12(10)18-13/h5-9H,3-4H2,1-2H3

InChIKey

KQLYUWXJOQUHOH-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-oxochromene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.1052 Da
Monoisotopic Mass: 2.3
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]+	246.11248	153.4
[M+Na]+	268.09442	161.5
[M-H]-	244.09792	160.2
[M+NH4]+	263.13902	171.0
[M+K]+	284.06836	160.9
[M+H-H2O]+	228.10246	146.3
[M+HCOO]-	290.10340	176.8
[M+CH3COO]-	304.11905	199.3
[M+Na-2H]-	266.07987	160.0
[M]+	245.10465	157.9
[M]-	245.10575	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.