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: 2
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]+	246.112476	153.4
[M+Na]+	268.094418	161.5
[M-H]-	244.097924	160.2
[M+NH4]+	263.139023	171.0
[M+K]+	284.068358	160.9
[M+H-H2O]+	228.102460	146.3
[M+HCOO]-	290.103401	176.8
[M+CH3COO]-	304.119051	199.3
[M+Na-2H]-	266.079866	160.0
[M]+	245.10465142	157.9
[M]-	245.10574858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe