CID 5276694

3-(1-piperidylmethyl)-5-(4-pyridyl)-1,3,4-oxadiazol-2-one

Structural Information

Molecular Formula
C13H16N4O2
SMILES
C1CCN(CC1)CN2C(=O)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C13H16N4O2/c18-13-17(10-16-8-2-1-3-9-16)15-12(19-13)11-4-6-14-7-5-11/h4-7H,1-3,8-10H2
InChIKey
JOCHUQMAJGAPHQ-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)-5-pyridin-4-yl-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.12732 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.134596 158.8
[M+Na]+ 283.116538 166.1
[M-H]- 259.120044 163.4
[M+NH4]+ 278.161143 169.8
[M+K]+ 299.090478 163.1
[M+H-H2O]+ 243.124580 147.7
[M+HCOO]- 305.125521 175.5
[M+CH3COO]- 319.141171 169.4
[M+Na-2H]- 281.101986 162.5
[M]+ 260.12677142 156.8
[M]- 260.12786858 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.