CID 613762

3,5-di(2-pyridyl)pyrazole

Structural Information

Molecular Formula

C₁₃H₁₀N₄

SMILES

C1=CC=NC(=C1)C2=CC(=NN2)C3=CC=CC=N3

InChI

InChI=1S/C13H10N4/c1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11/h1-9H,(H,16,17)

InChIKey

IMDRKCUYKQQEAC-UHFFFAOYSA-N

Compound name

2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 143
Patents: 222.09055 Da
Monoisotopic Mass: 1.5
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]+	223.09783	149.2
[M+Na]+	245.07977	165.2
[M+NH4]+	240.12437	157.1
[M+K]+	261.05371	159.1
[M-H]-	221.08327	153.3
[M+Na-2H]-	243.06522	160.8
[M]+	222.09000	152.6
[M]-	222.09110	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe