CID 12120162

2-pyridineformamidethio-semicarbazone

Structural Information

Molecular Formula
C7H9N5S
SMILES
C1=CC=NC(=C1)/C(=N/NC(=S)N)/N
InChI
InChI=1S/C7H9N5S/c8-6(11-12-7(9)13)5-3-1-2-4-10-5/h1-4H,(H2,8,11)(H3,9,12,13)
InChIKey
HPZQIBUABJICIV-UHFFFAOYSA-N
Compound name
[(Z)-[amino(pyridin-2-yl)methylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

195.05786 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06514 139.1
[M+Na]+ 218.04708 144.7
[M-H]- 194.05058 141.7
[M+NH4]+ 213.09168 156.2
[M+K]+ 234.02102 141.6
[M+H-H2O]+ 178.05512 131.0
[M+HCOO]- 240.05606 160.0
[M+CH3COO]- 254.07171 191.6
[M+Na-2H]- 216.03253 143.0
[M]+ 195.05731 134.8
[M]- 195.05841 134.8
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

No patent data available for this compound.