CID 3001911

5-tert-butyl-6-ethylsulfanyl-pyrazine-2-carbothioamide

Structural Information

Molecular Formula
C11H17N3S2
SMILES
CCSC1=NC(=CN=C1C(C)(C)C)C(=S)N
InChI
InChI=1S/C11H17N3S2/c1-5-16-10-8(11(2,3)4)13-6-7(14-10)9(12)15/h6H,5H2,1-4H3,(H2,12,15)
InChIKey
RIRRIFQOTCIJQD-UHFFFAOYSA-N
Compound name
5-tert-butyl-6-ethylsulfanylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.0864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09368 155.9
[M+Na]+ 278.07562 164.0
[M-H]- 254.07912 156.3
[M+NH4]+ 273.12022 171.0
[M+K]+ 294.04956 158.3
[M+H-H2O]+ 238.08366 149.0
[M+HCOO]- 300.08460 164.1
[M+CH3COO]- 314.10025 197.1
[M+Na-2H]- 276.06107 155.3
[M]+ 255.08585 157.3
[M]- 255.08695 157.3
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.