CID 5276692

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

Structural Information

Molecular Formula
C14H17N5O3
SMILES
CC(=O)N1CCN(CC1)CN2C(=O)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C14H17N5O3/c1-11(20)18-8-6-17(7-9-18)10-19-14(21)22-13(16-19)12-2-4-15-5-3-12/h2-5H,6-10H2,1H3
InChIKey
JWKPEPGFSNCBTO-UHFFFAOYSA-N
Compound name
3-[(4-acetylpiperazin-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

303.13315 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14043 170.8
[M+Na]+ 326.12237 178.4
[M-H]- 302.12587 174.5
[M+NH4]+ 321.16697 178.6
[M+K]+ 342.09631 175.3
[M+H-H2O]+ 286.13041 159.1
[M+HCOO]- 348.13135 185.0
[M+CH3COO]- 362.14700 180.2
[M+Na-2H]- 324.10782 171.9
[M]+ 303.13260 170.0
[M]- 303.13370 170.0
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.