CID 12145275

N(4)-ethyl-2-pyridineformamide thiosemicarbazone

Structural Information

Molecular Formula
C9H13N5S
SMILES
CCNC(=S)N/N=C(/C1=CC=CC=N1)\N
InChI
InChI=1S/C9H13N5S/c1-2-11-9(15)14-13-8(10)7-5-3-4-6-12-7/h3-6H,2H2,1H3,(H2,10,13)(H2,11,14,15)
InChIKey
YRJQZPHBSPWJTC-UHFFFAOYSA-N
Compound name
1-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

223.08917 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09645 147.9
[M+Na]+ 246.07839 152.8
[M-H]- 222.08189 150.8
[M+NH4]+ 241.12299 164.2
[M+K]+ 262.05233 149.5
[M+H-H2O]+ 206.08643 139.5
[M+HCOO]- 268.08737 168.9
[M+CH3COO]- 282.10302 197.6
[M+Na-2H]- 244.06384 151.9
[M]+ 223.08862 145.3
[M]- 223.08972 145.3
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.