CID 3002258

6-methylthio-5-propyl-2-pyrazinecarbothioamide

Structural Information

Molecular Formula
C9H13N3S2
SMILES
CCCC1=NC=C(N=C1SC)C(=S)N
InChI
InChI=1S/C9H13N3S2/c1-3-4-6-9(14-2)12-7(5-11-6)8(10)13/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKey
GRWYORKWTLMGMY-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-5-propylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.05508 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06236 145.3
[M+Na]+ 250.04430 154.0
[M-H]- 226.04780 145.8
[M+NH4]+ 245.08890 161.4
[M+K]+ 266.01824 148.3
[M+H-H2O]+ 210.05234 138.3
[M+HCOO]- 272.05328 155.6
[M+CH3COO]- 286.06893 191.6
[M+Na-2H]- 248.02975 144.9
[M]+ 227.05453 146.6
[M]- 227.05563 146.6
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.