CID 2852317

961-88-6

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

C1CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C=O

InChI

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

InChIKey

BKAAHCDXVXYPHA-UHFFFAOYSA-N

Compound name

4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 250.11061 Da
Monoisotopic Mass: 3.0
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	158.2
[M+Na]+	273.09983	173.7
[M+NH4]+	268.14443	166.9
[M+K]+	289.07377	166.8
[M-H]-	249.10333	163.6
[M+Na-2H]-	271.08528	168.8
[M]+	250.11006	162.0
[M]-	250.11116	162.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.