CID 15074065

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

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CCCN1C(=NOC1=S)C2=CC=CC=N2
InChI
InChI=1S/C10H11N3OS/c1-2-7-13-9(12-14-10(13)15)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3
InChIKey
PITHCEYPQRQJAL-UHFFFAOYSA-N
Compound name
4-propyl-3-pyridin-2-yl-1,2,4-oxadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 145.7
[M+Na]+ 244.05151 157.3
[M-H]- 220.05501 150.2
[M+NH4]+ 239.09611 161.8
[M+K]+ 260.02545 154.1
[M+H-H2O]+ 204.05955 138.0
[M+HCOO]- 266.06049 163.0
[M+CH3COO]- 280.07614 159.1
[M+Na-2H]- 242.03696 148.7
[M]+ 221.06174 150.1
[M]- 221.06284 150.1
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.