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]+ 261.13460 158.8
[M+Na]+ 283.11654 166.1
[M-H]- 259.12004 163.4
[M+NH4]+ 278.16114 169.8
[M+K]+ 299.09048 163.1
[M+H-H2O]+ 243.12458 147.7
[M+HCOO]- 305.12552 175.5
[M+CH3COO]- 319.14117 169.4
[M+Na-2H]- 281.10199 162.5
[M]+ 260.12677 156.8
[M]- 260.12787 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.