CID 5276700

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

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC1CCCCN1N2C(=O)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C13H16N4O2/c1-10-4-2-3-9-16(10)17-13(18)19-12(15-17)11-5-7-14-8-6-11/h5-8,10H,2-4,9H2,1H3
InChIKey
VUYPFMSYRURWIF-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.134596 159.6
[M+Na]+ 283.116538 167.9
[M-H]- 259.120044 164.6
[M+NH4]+ 278.161143 170.9
[M+K]+ 299.090478 164.8
[M+H-H2O]+ 243.124580 148.8
[M+HCOO]- 305.125521 176.3
[M+CH3COO]- 319.141171 170.6
[M+Na-2H]- 281.101986 162.5
[M]+ 260.12677142 158.0
[M]- 260.12786858 158.0
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.