CID 3009106

2-nonylsulfanylpyridine-4-carbothioamide

Structural Information

Molecular Formula
C15H24N2S2
SMILES
CCCCCCCCCSC1=NC=CC(=C1)C(=S)N
InChI
InChI=1S/C15H24N2S2/c1-2-3-4-5-6-7-8-11-19-14-12-13(15(16)18)9-10-17-14/h9-10,12H,2-8,11H2,1H3,(H2,16,18)
InChIKey
JNRGEBNCRQBHSC-UHFFFAOYSA-N
Compound name
2-nonylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1381 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14538 166.4
[M+Na]+ 319.12732 171.5
[M-H]- 295.13082 166.7
[M+NH4]+ 314.17192 180.7
[M+K]+ 335.10126 164.6
[M+H-H2O]+ 279.13536 158.6
[M+HCOO]- 341.13630 176.0
[M+CH3COO]- 355.15195 205.4
[M+Na-2H]- 317.11277 164.0
[M]+ 296.13755 168.9
[M]- 296.13865 168.9
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.