CID 9567550

2-ethyl-4-formylpyridine thiosemicarbazone

Structural Information

Molecular Formula
C9H12N4S
SMILES
CCC1=NC=CC(=C1)/C=N/NC(=S)N
InChI
InChI=1S/C9H12N4S/c1-2-8-5-7(3-4-11-8)6-12-13-9(10)14/h3-6H,2H2,1H3,(H3,10,13,14)/b12-6+
InChIKey
PFCNIHAUOWBJQR-WUXMJOGZSA-N
Compound name
[(E)-(2-ethylpyridin-4-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07826 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08554 144.4
[M+Na]+ 231.06748 151.3
[M-H]- 207.07098 147.7
[M+NH4]+ 226.11208 162.1
[M+K]+ 247.04142 147.5
[M+H-H2O]+ 191.07552 136.7
[M+HCOO]- 253.07646 165.4
[M+CH3COO]- 267.09211 193.3
[M+Na-2H]- 229.05293 148.2
[M]+ 208.07771 143.7
[M]- 208.07881 143.7
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

No patent data available for this compound.