CID 199037

5-(pyridin-3-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C7H6N4S
SMILES
C1=CC(=CN=C1)C2=NN=C(S2)N
InChI
InChI=1S/C7H6N4S/c8-7-11-10-6(12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,11)
InChIKey
MCYHQUZTYSVDHW-UHFFFAOYSA-N
Compound name
5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

42
Patents

178.03131 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.038586 132.8
[M+Na]+ 201.020528 143.6
[M-H]- 177.024034 136.2
[M+NH4]+ 196.065133 151.0
[M+K]+ 216.994468 139.7
[M+H-H2O]+ 161.028570 125.0
[M+HCOO]- 223.029511 151.9
[M+CH3COO]- 237.045161 146.4
[M+Na-2H]- 199.005976 137.4
[M]+ 178.03076142 132.9
[M]- 178.03185858 132.9
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