CID 66015333

4-(3-phenyl-1h-pyrazol-1-yl)pyridine

Structural Information

Molecular Formula

C₁₄H₁₁N₃

SMILES

C1=CC=C(C=C1)C2=NN(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C14H11N3/c1-2-4-12(5-3-1)14-8-11-17(16-14)13-6-9-15-10-7-13/h1-11H

InChIKey

RCWQPOFTXGCZDY-UHFFFAOYSA-N

Compound name

4-(3-phenylpyrazol-1-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.09529 Da
Monoisotopic Mass: 2.5
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]+	222.10257	149.2
[M+Na]+	244.08451	165.8
[M+NH4]+	239.12911	158.2
[M+K]+	260.05845	158.9
[M-H]-	220.08801	154.7
[M+Na-2H]-	242.06996	161.6
[M]+	221.09474	153.3
[M]-	221.09584	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe