CID 3001910

6-methylsulfanyl-5-tert.butylpyrazine-2-carbothioamide

Structural Information

Molecular Formula
C10H15N3S2
SMILES
CC(C)(C)C1=NC=C(N=C1SC)C(=S)N
InChI
InChI=1S/C10H15N3S2/c1-10(2,3)7-9(15-4)13-6(5-12-7)8(11)14/h5H,1-4H3,(H2,11,14)
InChIKey
CLIIDVQPMXVNRE-UHFFFAOYSA-N
Compound name
5-tert-butyl-6-methylsulfanylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.07074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07802 151.7
[M+Na]+ 264.05996 160.3
[M-H]- 240.06346 152.3
[M+NH4]+ 259.10456 167.4
[M+K]+ 280.03390 154.8
[M+H-H2O]+ 224.06800 145.1
[M+HCOO]- 286.06894 160.2
[M+CH3COO]- 300.08459 194.2
[M+Na-2H]- 262.04541 151.5
[M]+ 241.07019 152.8
[M]- 241.07129 152.8
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.