CID 245736

1,3-diphenyl-1h-pyrazol-5-ol

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

C1=CC=C(C=C1)C2=CC(=O)N(N2)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/h1-11,16H

InChIKey

XUGMZXWEBJJQID-UHFFFAOYSA-N

Compound name

2,5-diphenyl-1H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 244
Patents: 236.09496 Da
Monoisotopic Mass: 3.1
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]+	237.10224	153.2
[M+Na]+	259.08418	169.2
[M+NH4]+	254.12878	161.7
[M+K]+	275.05812	162.7
[M-H]-	235.08768	158.3
[M+Na-2H]-	257.06963	164.3
[M]+	236.09441	157.0
[M]-	236.09551	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe