CID 28922

N,n-diethyl-3-coumarincarboxamide

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

CCN(CC)C(=O)C1=CC2=CC=CC=C2OC1=O

InChI

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

InChIKey

DIHKPWRAFNUESX-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-oxochromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
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	153.1
[M+Na]+	268.09442	166.5
[M+NH4]+	263.13902	161.1
[M+K]+	284.06836	160.5
[M-H]-	244.09792	157.4
[M+Na-2H]-	266.07987	159.3
[M]+	245.10465	156.2
[M]-	245.10575	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.