CID 465147

2-(3-chlorophenyl)-3-methyl-5-(4-pyridyl)-2h-1,3,4-oxadiazole

Structural Information

Molecular Formula

C₁₄H₁₂ClN₃O

SMILES

CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H12ClN3O/c1-18-14(11-3-2-4-12(15)9-11)19-13(17-18)10-5-7-16-8-6-10/h2-9,14H,1H3

InChIKey

NWFONBNUUDTHDZ-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.0669 Da
Monoisotopic Mass: 3.3
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]+	274.074176	160.8
[M+Na]+	296.056118	171.2
[M-H]-	272.059624	167.3
[M+NH4]+	291.100723	174.1
[M+K]+	312.030058	166.3
[M+H-H2O]+	256.064160	150.8
[M+HCOO]-	318.065101	176.2
[M+CH3COO]-	332.080751	172.8
[M+Na-2H]-	294.041566	164.8
[M]+	273.06635142	163.2
[M]-	273.06744858	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.