CID 15074076

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

Structural Information

Molecular Formula
C14H11N3OS
SMILES
CC1=CC=C(C=C1)N2C(=NSC2=O)C3=CC=NC=C3
InChI
InChI=1S/C14H11N3OS/c1-10-2-4-12(5-3-10)17-13(16-19-14(17)18)11-6-8-15-9-7-11/h2-9H,1H3
InChIKey
WGWCRKWAOOHYCZ-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-3-pyridin-4-yl-1,2,4-thiadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0623 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06958 158.8
[M+Na]+ 292.05152 170.7
[M-H]- 268.05502 166.1
[M+NH4]+ 287.09612 173.8
[M+K]+ 308.02546 164.7
[M+H-H2O]+ 252.05956 149.9
[M+HCOO]- 314.06050 177.0
[M+CH3COO]- 328.07615 171.6
[M+Na-2H]- 290.03697 161.0
[M]+ 269.06175 161.8
[M]- 269.06285 161.8
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.