CID 5276691

5-(4-pyridyl)-3-(thiomorpholinomethyl)-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C12H14N4OS2
SMILES
C1CSCCN1CN2C(=S)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C12H14N4OS2/c18-12-16(9-15-5-7-19-8-6-15)14-11(17-12)10-1-3-13-4-2-10/h1-4H,5-9H2
InChIKey
MJUCQGAMNATPDM-UHFFFAOYSA-N
Compound name
5-pyridin-4-yl-3-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.0609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06818 161.1
[M+Na]+ 317.05012 171.1
[M-H]- 293.05362 166.3
[M+NH4]+ 312.09472 172.8
[M+K]+ 333.02406 166.0
[M+H-H2O]+ 277.05816 153.1
[M+HCOO]- 339.05910 169.1
[M+CH3COO]- 353.07475 171.7
[M+Na-2H]- 315.03557 160.4
[M]+ 294.06035 161.0
[M]- 294.06145 161.0
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.