CID 3003819

3-hydroxypyridine-2-carboxaldehyde thiosemicarbazone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

209
Patents

196.04189 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.049166 138.9
[M+Na]+ 219.031108 146.0
[M-H]- 195.034614 141.0
[M+NH4]+ 214.075713 156.2
[M+K]+ 235.005048 142.3
[M+H-H2O]+ 179.039150 131.5
[M+HCOO]- 241.040091 159.3
[M+CH3COO]- 255.055741 187.0
[M+Na-2H]- 217.016556 143.3
[M]+ 196.04134142 136.9
[M]- 196.04243858 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