CID 3063662

1-benzoyl-5-phenyl-2-pyrazoline

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

C1C=NN(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1-10,12,15H,11H2

InChIKey

VATSZXIZOIMIAN-UHFFFAOYSA-N

Compound name

phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 250.11061 Da
Monoisotopic Mass: 2.4
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]+	251.11789	158.1
[M+Na]+	273.09983	172.9
[M+NH4]+	268.14443	166.7
[M+K]+	289.07377	166.7
[M-H]-	249.10333	163.3
[M+Na-2H]-	271.08528	168.7
[M]+	250.11006	161.7
[M]-	250.11116	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe