CID 12406375

4-(2-pyridyl)thiosemicarbazide

Structural Information

Molecular Formula
C6H8N4S
SMILES
C1=CC=NC(=C1)NC(=S)NN
InChI
InChI=1S/C6H8N4S/c7-10-6(11)9-5-3-1-2-4-8-5/h1-4H,7H2,(H2,8,9,10,11)
InChIKey
WRKRKAUFAZVXON-UHFFFAOYSA-N
Compound name
1-amino-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

168.04697 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05425 131.5
[M+Na]+ 191.03619 138.1
[M-H]- 167.03969 133.5
[M+NH4]+ 186.08079 149.9
[M+K]+ 207.01013 134.7
[M+H-H2O]+ 151.04423 124.3
[M+HCOO]- 213.04517 151.9
[M+CH3COO]- 227.06082 181.5
[M+Na-2H]- 189.02164 137.1
[M]+ 168.04642 128.1
[M]- 168.04752 128.1
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