CID 15957025

2-[5-(5-bromo-2,3-dimethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-3-methyl-pyridine

Structural Information

Molecular Formula

C₁₆H₁₄BrN₃O₃

SMILES

CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C(=CC(=C3)Br)OC)OC

InChI

InChI=1S/C16H14BrN3O3/c1-9-5-4-6-18-13(9)15-19-16(23-20-15)11-7-10(17)8-12(21-2)14(11)22-3/h4-8H,1-3H3

InChIKey

CMQYNBCGCUAAIV-UHFFFAOYSA-N

Compound name

5-(5-bromo-2,3-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 375.02185 Da
Monoisotopic Mass: 3.4
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]+	376.029126	176.3
[M+Na]+	398.011068	189.9
[M-H]-	374.014574	186.5
[M+NH4]+	393.055673	189.3
[M+K]+	413.985008	179.7
[M+H-H2O]+	358.019110	173.4
[M+HCOO]-	420.020051	195.4
[M+CH3COO]-	434.035701	190.1
[M+Na-2H]-	395.996516	180.7
[M]+	375.02130142	200.8
[M]-	375.02239858	200.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.