CID 2743237

Nicotinylthiosemicarbazide hydrochloride

Structural Information

Molecular Formula
C7H8N4OS
SMILES
C1=CC(=CN=C1)C(=O)NNC(=S)N
InChI
InChI=1S/C7H8N4OS/c8-7(13)11-10-6(12)5-2-1-3-9-4-5/h1-4H,(H,10,12)(H3,8,11,13)
InChIKey
ZJJFNENRLBGLDQ-UHFFFAOYSA-N
Compound name
(pyridine-3-carbonylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

196.04189 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04917 139.6
[M+Na]+ 219.03111 147.8
[M+NH4]+ 214.07571 146.5
[M+K]+ 235.00505 142.0
[M-H]- 195.03461 141.4
[M+Na-2H]- 217.01656 144.9
[M]+ 196.04134 141.2
[M]- 196.04244 141.2
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