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]+ 261.13460 159.6
[M+Na]+ 283.11654 167.9
[M-H]- 259.12004 164.6
[M+NH4]+ 278.16114 170.9
[M+K]+ 299.09048 164.8
[M+H-H2O]+ 243.12458 148.8
[M+HCOO]- 305.12552 176.3
[M+CH3COO]- 319.14117 170.6
[M+Na-2H]- 281.10199 162.5
[M]+ 260.12677 158.0
[M]- 260.12787 158.1
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.