CID 15074071

4-ethyl-3-(2-pyridyl)-1,2,4-thiadiazol-5-one

Structural Information

Molecular Formula
C9H9N3OS
SMILES
CCN1C(=NSC1=O)C2=CC=CC=N2
InChI
InChI=1S/C9H9N3OS/c1-2-12-8(11-14-9(12)13)7-5-3-4-6-10-7/h3-6H,2H2,1H3
InChIKey
AUBOHBAOWMRXTL-UHFFFAOYSA-N
Compound name
4-ethyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04663 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05391 141.4
[M+Na]+ 230.03585 153.2
[M-H]- 206.03935 145.5
[M+NH4]+ 225.08045 159.2
[M+K]+ 246.00979 149.3
[M+H-H2O]+ 190.04389 133.7
[M+HCOO]- 252.04483 159.9
[M+CH3COO]- 266.06048 155.1
[M+Na-2H]- 228.02130 144.4
[M]+ 207.04608 144.9
[M]- 207.04718 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.