CID 4173511

51987-99-6

Structural Information

Molecular Formula
C8H6N4OS
SMILES
C1=CC(=CN=C1)C(=O)NC2=NN=CS2
InChI
InChI=1S/C8H6N4OS/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13)
InChIKey
AGEGZHOPKZFKBP-UHFFFAOYSA-N
Compound name
N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

18
Patents

206.02623 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03351 140.2
[M+Na]+ 229.01545 149.4
[M-H]- 205.01895 143.8
[M+NH4]+ 224.06005 157.0
[M+K]+ 244.98939 146.1
[M+H-H2O]+ 189.02349 131.9
[M+HCOO]- 251.02443 159.0
[M+CH3COO]- 265.04008 153.0
[M+Na-2H]- 227.00090 145.0
[M]+ 206.02568 141.2
[M]- 206.02678 141.2
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

patents stripe