CID 5276702

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

Structural Information

Molecular Formula
C12H14N4O2S
SMILES
C1CSCCN1CN2C(=O)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C12H14N4O2S/c17-12-16(9-15-5-7-19-8-6-15)14-11(18-12)10-1-3-13-4-2-10/h1-4H,5-9H2
InChIKey
NADLZYMRGSQVCZ-UHFFFAOYSA-N
Compound name
5-pyridin-4-yl-3-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.08374 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09102 160.4
[M+Na]+ 301.07296 169.2
[M-H]- 277.07646 165.7
[M+NH4]+ 296.11756 171.8
[M+K]+ 317.04690 165.8
[M+H-H2O]+ 261.08100 150.8
[M+HCOO]- 323.08194 173.2
[M+CH3COO]- 337.09759 171.2
[M+Na-2H]- 299.05841 161.7
[M]+ 278.08319 160.5
[M]- 278.08429 160.5
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.