CID 119031046

2-[5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine

Structural Information

Molecular Formula
C13H16N4O2
SMILES
COC1(CCNCC1)C2=NC(=NO2)C3=CC=CC=N3
InChI
InChI=1S/C13H16N4O2/c1-18-13(5-8-14-9-6-13)12-16-11(17-19-12)10-4-2-3-7-15-10/h2-4,7,14H,5-6,8-9H2,1H3
InChIKey
HNYGDOLPTRUUFY-UHFFFAOYSA-N
Compound name
5-(4-methoxypiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 158.4
[M+Na]+ 283.11654 165.0
[M-H]- 259.12004 161.6
[M+NH4]+ 278.16114 170.4
[M+K]+ 299.09048 162.2
[M+H-H2O]+ 243.12458 147.5
[M+HCOO]- 305.12552 173.5
[M+CH3COO]- 319.14117 168.4
[M+Na-2H]- 281.10199 163.6
[M]+ 260.12677 155.2
[M]- 260.12787 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.