CID 3001432

2-pyridinecarbothioamide, 4-(cyclohexylthio)-

Structural Information

Molecular Formula
C12H16N2S2
SMILES
C1CCC(CC1)SC2=CC(=NC=C2)C(=S)N
InChI
InChI=1S/C12H16N2S2/c13-12(15)11-8-10(6-7-14-11)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,13,15)
InChIKey
RVMUHDIOQDBGIA-UHFFFAOYSA-N
Compound name
4-cyclohexylsulfanylpyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.07549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08277 152.2
[M+Na]+ 275.06471 157.4
[M-H]- 251.06821 155.7
[M+NH4]+ 270.10931 167.8
[M+K]+ 291.03865 151.4
[M+H-H2O]+ 235.07275 145.0
[M+HCOO]- 297.07369 160.5
[M+CH3COO]- 311.08934 162.0
[M+Na-2H]- 273.05016 151.5
[M]+ 252.07494 147.6
[M]- 252.07604 147.6
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.