CID 3115791

4-ethyl-1-(4-pyridylcarbonyl)thiosemicarbazide

Structural Information

Molecular Formula
C9H12N4OS
SMILES
CCNC(=S)NNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C9H12N4OS/c1-2-11-9(15)13-12-8(14)7-3-5-10-6-4-7/h3-6H,2H2,1H3,(H,12,14)(H2,11,13,15)
InChIKey
HJCGVQDEMSOVGB-UHFFFAOYSA-N
Compound name
1-ethyl-3-(pyridine-4-carbonylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

224.07318 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08046 148.4
[M+Na]+ 247.06240 153.6
[M-H]- 223.06590 150.5
[M+NH4]+ 242.10700 164.6
[M+K]+ 263.03634 150.3
[M+H-H2O]+ 207.07044 140.5
[M+HCOO]- 269.07138 167.8
[M+CH3COO]- 283.08703 192.0
[M+Na-2H]- 245.04785 152.4
[M]+ 224.07263 147.0
[M]- 224.07373 147.0
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.