CID 3039041

42069-27-2

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O₃

SMILES

C1=CC(=CN=C1)C(=O)NC(C(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H11ClN2O3/c15-11-5-3-9(4-6-11)12(18)14(20)17-13(19)10-2-1-7-16-8-10/h1-8,14,20H,(H,17,19)

InChIKey

OBYBRTPQAJQHLT-UHFFFAOYSA-N

Compound name

N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.0458 Da
Monoisotopic Mass: 1.6
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]+	291.053076	161.3
[M+Na]+	313.035018	167.8
[M-H]-	289.038524	165.3
[M+NH4]+	308.079623	174.6
[M+K]+	329.008958	163.2
[M+H-H2O]+	273.043060	153.8
[M+HCOO]-	335.044001	177.5
[M+CH3COO]-	349.059651	198.5
[M+Na-2H]-	311.020466	164.9
[M]+	290.04525142	162.0
[M]-	290.04634858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.