CID 3005836

5-hydroxypicolinaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C7H8N4OS
SMILES
C1=CC(=NC=C1O)C=NNC(=S)N
InChI
InChI=1S/C7H8N4OS/c8-7(13)11-10-3-5-1-2-6(12)4-9-5/h1-4,12H,(H3,8,11,13)
InChIKey
LJHGXGDHNOZLFT-UHFFFAOYSA-N
Compound name
[(5-hydroxypyridin-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

564
Patents

196.04189 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04917 138.9
[M+Na]+ 219.03111 146.0
[M-H]- 195.03461 141.0
[M+NH4]+ 214.07571 156.2
[M+K]+ 235.00505 142.3
[M+H-H2O]+ 179.03915 131.5
[M+HCOO]- 241.04009 159.3
[M+CH3COO]- 255.05574 187.0
[M+Na-2H]- 217.01656 143.3
[M]+ 196.04134 136.9
[M]- 196.04244 136.9
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