CID 3003530

2-ethylsulfanyl-6-hexylsulfanyl-pyridine-4-carbothioamide

Structural Information

Molecular Formula
C14H22N2S3
SMILES
CCCCCCSC1=CC(=CC(=N1)SCC)C(=S)N
InChI
InChI=1S/C14H22N2S3/c1-3-5-6-7-8-19-13-10-11(14(15)17)9-12(16-13)18-4-2/h9-10H,3-8H2,1-2H3,(H2,15,17)
InChIKey
FLSOXTWNTACXMD-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-6-hexylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0945 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10178 165.0
[M+Na]+ 337.08372 171.0
[M-H]- 313.08722 164.8
[M+NH4]+ 332.12832 178.5
[M+K]+ 353.05766 162.1
[M+H-H2O]+ 297.09176 157.6
[M+HCOO]- 359.09270 168.7
[M+CH3COO]- 373.10835 208.5
[M+Na-2H]- 335.06917 161.8
[M]+ 314.09395 166.6
[M]- 314.09505 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.