CID 9574643

2-acetylpyrazine thiosemicarbazone

Structural Information

Molecular Formula
C7H9N5S
SMILES
C/C(=N\NC(=S)N)/C1=NC=CN=C1
InChI
InChI=1S/C7H9N5S/c1-5(11-12-7(8)13)6-4-9-2-3-10-6/h2-4H,1H3,(H3,8,12,13)/b11-5+
InChIKey
LNRWBLGPWCJQEM-VZUCSPMQSA-N
Compound name
[(E)-1-pyrazin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

195.05786 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06514 140.1
[M+Na]+ 218.04708 146.8
[M-H]- 194.05058 142.1
[M+NH4]+ 213.09168 156.7
[M+K]+ 234.02102 143.8
[M+H-H2O]+ 178.05512 131.9
[M+HCOO]- 240.05606 159.6
[M+CH3COO]- 254.07171 189.8
[M+Na-2H]- 216.03253 144.7
[M]+ 195.05731 138.2
[M]- 195.05841 138.2
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.