CID 3001915

6-ethylthio-5-isobutyl-2-pyrazinecarbothioamide

Structural Information

Molecular Formula
C11H17N3S2
SMILES
CCSC1=NC(=CN=C1CC(C)C)C(=S)N
InChI
InChI=1S/C11H17N3S2/c1-4-16-11-8(5-7(2)3)13-6-9(14-11)10(12)15/h6-7H,4-5H2,1-3H3,(H2,12,15)
InChIKey
MRMUGVHGVFGNSP-UHFFFAOYSA-N
Compound name
6-ethylsulfanyl-5-(2-methylpropyl)pyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.0864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09368 153.7
[M+Na]+ 278.07562 161.1
[M-H]- 254.07912 153.9
[M+NH4]+ 273.12022 168.6
[M+K]+ 294.04956 155.5
[M+H-H2O]+ 238.08366 146.4
[M+HCOO]- 300.08460 162.3
[M+CH3COO]- 314.10025 198.3
[M+Na-2H]- 276.06107 151.5
[M]+ 255.08585 155.2
[M]- 255.08695 155.2
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.