CID 877236

371917-81-6

Structural Information

Molecular Formula

C₁₅H₁₁N₃O

SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=O

InChI

InChI=1S/C15H11N3O/c19-11-13-10-18(14-4-2-1-3-5-14)17-15(13)12-6-8-16-9-7-12/h1-11H

InChIKey

RPXJROJLJRFFOF-UHFFFAOYSA-N

Compound name

1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2
Patents: 249.09021 Da
Monoisotopic Mass: 1.9
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]+	250.09749	156.4
[M+Na]+	272.07943	172.7
[M+NH4]+	267.12403	164.4
[M+K]+	288.05337	166.2
[M-H]-	248.08293	161.1
[M+Na-2H]-	270.06488	167.7
[M]+	249.08966	160.1
[M]-	249.09076	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe