CID 3002242

Ethyl-(2-thiocarbamoylpyridine-4-ylthio)acetate

Structural Information

Molecular Formula
C10H12N2O2S2
SMILES
CCOC(=O)CSC1=CC(=NC=C1)C(=S)N
InChI
InChI=1S/C10H12N2O2S2/c1-2-14-9(13)6-16-7-3-4-12-8(5-7)10(11)15/h3-5H,2,6H2,1H3,(H2,11,15)
InChIKey
XMDHIMNZYZVMJE-UHFFFAOYSA-N
Compound name
ethyl 2-(2-carbamothioylpyridin-4-yl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.03403 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04131 153.4
[M+Na]+ 279.02325 160.2
[M-H]- 255.02675 154.7
[M+NH4]+ 274.06785 168.9
[M+K]+ 294.99719 155.3
[M+H-H2O]+ 239.03129 146.3
[M+HCOO]- 301.03223 164.1
[M+CH3COO]- 315.04788 194.1
[M+Na-2H]- 277.00870 152.5
[M]+ 256.03348 155.6
[M]- 256.03458 155.6
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.