CID 5276698

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

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CC1CCN(CC1)CN2C(=O)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C14H18N4O2/c1-11-4-8-17(9-5-11)10-18-14(19)20-13(16-18)12-2-6-15-7-3-12/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKey
UACLABRDJRIYIM-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperidin-1-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.14297 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 164.1
[M+Na]+ 297.13219 171.9
[M-H]- 273.13569 168.9
[M+NH4]+ 292.17679 174.8
[M+K]+ 313.10613 168.6
[M+H-H2O]+ 257.14023 153.0
[M+HCOO]- 319.14117 180.3
[M+CH3COO]- 333.15682 174.5
[M+Na-2H]- 295.11764 166.4
[M]+ 274.14242 162.8
[M]- 274.14352 162.8
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.