CID 3001914

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

Structural Information

Molecular Formula
C13H21N3S2
SMILES
CCCCSC1=NC(=CN=C1C(C)(C)C)C(=S)N
InChI
InChI=1S/C13H21N3S2/c1-5-6-7-18-12-10(13(2,3)4)15-8-9(16-12)11(14)17/h8H,5-7H2,1-4H3,(H2,14,17)
InChIKey
SZGIVJSRYANZIW-UHFFFAOYSA-N
Compound name
5-tert-butyl-6-butylsulfanylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.11768 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12496 164.1
[M+Na]+ 306.10690 171.3
[M-H]- 282.11040 164.1
[M+NH4]+ 301.15150 178.1
[M+K]+ 322.08084 165.2
[M+H-H2O]+ 266.11494 156.8
[M+HCOO]- 328.11588 171.7
[M+CH3COO]- 342.13153 203.0
[M+Na-2H]- 304.09235 162.6
[M]+ 283.11713 166.2
[M]- 283.11823 166.2
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.