CID 15956941

Schembl6451282

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₃

SMILES

COC1=CC(=C(C=C1)OC)C2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C15H13N3O3/c1-19-10-6-7-13(20-2)11(9-10)15-17-14(18-21-15)12-5-3-4-8-16-12/h3-9H,1-2H3

InChIKey

JCNIDKOBQNRWEI-UHFFFAOYSA-N

Compound name

5-(2,5-dimethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 283.0957 Da
Monoisotopic Mass: 2.4
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]+	284.102976	162.6
[M+Na]+	306.084918	172.7
[M-H]-	282.088424	170.0
[M+NH4]+	301.129523	174.6
[M+K]+	322.058858	170.1
[M+H-H2O]+	266.092960	152.3
[M+HCOO]-	328.093901	184.4
[M+CH3COO]-	342.109551	175.1
[M+Na-2H]-	304.070366	168.0
[M]+	283.09515142	167.6
[M]-	283.09624858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe