CID 3076194

Brn 4751541

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₃

SMILES

C1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=CC=N2

InChI

InChI=1S/C15H12N2O3/c18-12(11-6-2-1-3-7-11)10-13(19)15(20)17-14-8-4-5-9-16-14/h1-9H,10H2,(H,16,17,20)

InChIKey

SNPZWZTYJYKVTG-UHFFFAOYSA-N

Compound name

2,4-dioxo-4-phenyl-N-pyridin-2-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.08478 Da
Monoisotopic Mass: 1.8
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]+	269.092056	159.6
[M+Na]+	291.073998	164.7
[M-H]-	267.077504	164.5
[M+NH4]+	286.118603	173.2
[M+K]+	307.047938	161.7
[M+H-H2O]+	251.082040	150.6
[M+HCOO]-	313.082981	181.6
[M+CH3COO]-	327.098631	198.2
[M+Na-2H]-	289.059446	164.2
[M]+	268.08423142	159.0
[M]-	268.08532858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe