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
2
Annotation Hits

11
References

44
Patents

178.03131 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03859 132.8
[M+Na]+ 201.02053 143.6
[M-H]- 177.02403 136.2
[M+NH4]+ 196.06513 151.0
[M+K]+ 216.99447 139.7
[M+H-H2O]+ 161.02857 125.0
[M+HCOO]- 223.02951 151.9
[M+CH3COO]- 237.04516 146.4
[M+Na-2H]- 199.00598 137.4
[M]+ 178.03076 132.9
[M]- 178.03186 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