CID 3001479

6-methylthio-5-butyl-2-pyrazinecarbothioamide

Structural Information

Molecular Formula
C10H15N3S2
SMILES
CCCCC1=NC=C(N=C1SC)C(=S)N
InChI
InChI=1S/C10H15N3S2/c1-3-4-5-7-10(15-2)13-8(6-12-7)9(11)14/h6H,3-5H2,1-2H3,(H2,11,14)
InChIKey
KDUCMLFQGQFUJI-UHFFFAOYSA-N
Compound name
5-butyl-6-methylsulfanylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.07074 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07802 149.4
[M+Na]+ 264.05996 157.7
[M-H]- 240.06346 149.7
[M+NH4]+ 259.10456 164.9
[M+K]+ 280.03390 151.7
[M+H-H2O]+ 224.06800 142.2
[M+HCOO]- 286.06894 159.4
[M+CH3COO]- 300.08459 194.5
[M+Na-2H]- 262.04541 148.5
[M]+ 241.07019 151.1
[M]- 241.07129 151.1
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.