CID 78559

4845-49-2

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

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

InChI

InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

MZKALFCNIJHTJG-UHFFFAOYSA-N

Compound name

2,5-diphenyl-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 356
Patents: 236.09496 Da
Monoisotopic Mass: 2.9
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]+	237.102236	152.0
[M+Na]+	259.084178	160.6
[M-H]-	235.087684	159.4
[M+NH4]+	254.128783	168.3
[M+K]+	275.058118	155.7
[M+H-H2O]+	219.092220	142.6
[M+HCOO]-	281.093161	174.5
[M+CH3COO]-	295.108811	164.7
[M+Na-2H]-	257.069626	156.7
[M]+	236.09441142	150.6
[M]-	236.09550858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe