CID 21486262

24219-17-8

Structural Information

Molecular Formula
C7H6N4S
SMILES
C1=CC(=CN=C1)C2=NSC(=N2)N
InChI
InChI=1S/C7H6N4S/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,10,11)
InChIKey
DZQRFUXSKCTOTP-UHFFFAOYSA-N
Compound name
3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

178.03131 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe