CID 15074070

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

Structural Information

Molecular Formula
C8H7N3OS
SMILES
CN1C(=NSC1=O)C2=CC=CC=N2
InChI
InChI=1S/C8H7N3OS/c1-11-7(10-13-8(11)12)6-4-2-3-5-9-6/h2-5H,1H3
InChIKey
DICJEFMTBYNSNY-UHFFFAOYSA-N
Compound name
4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03099 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 137.0
[M+Na]+ 216.02021 149.3
[M-H]- 192.02371 141.3
[M+NH4]+ 211.06481 155.4
[M+K]+ 231.99415 145.6
[M+H-H2O]+ 176.02825 129.6
[M+HCOO]- 238.02919 155.8
[M+CH3COO]- 252.04484 151.2
[M+Na-2H]- 214.00566 140.6
[M]+ 193.03044 140.2
[M]- 193.03154 140.2
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.