CID 14050877

3-phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula

C₁₄H₁₁N₃O

SMILES

C1C(=NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H11N3O/c18-14-10-12(11-6-2-1-3-7-11)16-17(14)13-8-4-5-9-15-13/h1-9H,10H2

InChIKey

WOMZEWNZGULGJE-UHFFFAOYSA-N

Compound name

5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 237.09021 Da
Monoisotopic Mass: 2.2
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]+	238.09749	153.3
[M+Na]+	260.07943	168.9
[M+NH4]+	255.12403	161.4
[M+K]+	276.05337	162.8
[M-H]-	236.08293	157.9
[M+Na-2H]-	258.06488	163.9
[M]+	237.08966	156.8
[M]-	237.09076	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe