CID 5480198

2-acetylpyridine thiosemicarbazone

Structural Information

Molecular Formula
C8H10N4S
SMILES
C/C(=N\NC(=S)N)/C1=CC=CC=N1
InChI
InChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H3,9,12,13)/b11-6+
InChIKey
RIFVPOHZBSIFRL-IZZDOVSWSA-N
Compound name
[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

26
Patents

194.06262 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06990 140.8
[M+Na]+ 217.05184 149.8
[M+NH4]+ 212.09644 148.4
[M+K]+ 233.02578 142.9
[M-H]- 193.05534 143.6
[M+Na-2H]- 215.03729 146.8
[M]+ 194.06207 142.9
[M]- 194.06317 142.9
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