CID 135459491

3-hydroxy-2-formylpyridine thiosemicarbazone

Structural Information

Molecular Formula
C7H8N4OS
SMILES
C1=CC(=C(N=C1)/C=N\NC(=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)/b10-4-
InChIKey
ISFBDLBZPVCEKD-WMZJFQQLSA-N
Compound name
[(Z)-(3-hydroxy-2-pyridinyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
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

No literature data available for this compound.

Patent stripe

patents stripe