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]+ 261.134596 158.4
[M+Na]+ 283.116538 165.0
[M-H]- 259.120044 161.6
[M+NH4]+ 278.161143 170.4
[M+K]+ 299.090478 162.2
[M+H-H2O]+ 243.124580 147.5
[M+HCOO]- 305.125521 173.5
[M+CH3COO]- 319.141171 168.4
[M+Na-2H]- 281.101986 163.6
[M]+ 260.12677142 155.2
[M]- 260.12786858 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.