CID 216670

37585-38-9

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

COC1=CC(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c1-20-16-12-15(19)17(13-8-4-2-5-9-13)18(16)14-10-6-3-7-11-14/h2-12H,1H3

InChIKey

ATUOIKVQJQROMF-UHFFFAOYSA-N

Compound name

5-methoxy-1,2-diphenylpyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 3.4
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]+	267.112806	159.0
[M+Na]+	289.094748	168.9
[M-H]-	265.098254	167.0
[M+NH4]+	284.139353	174.4
[M+K]+	305.068688	164.1
[M+H-H2O]+	249.102790	149.4
[M+HCOO]-	311.103731	182.7
[M+CH3COO]-	325.119381	171.9
[M+Na-2H]-	287.080196	163.4
[M]+	266.10498142	161.1
[M]-	266.10607858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.