CID 3001917

Dtxsid80869915

Structural Information

Molecular Formula
C13H21N3S2
SMILES
CCCCSC1=NC(=CN=C1CC(C)C)C(=S)N
InChI
InChI=1S/C13H21N3S2/c1-4-5-6-18-13-10(7-9(2)3)15-8-11(16-13)12(14)17/h8-9H,4-7H2,1-3H3,(H2,14,17)
InChIKey
SRWIMSYDIMSMAS-UHFFFAOYSA-N
Compound name
6-butylsulfanyl-5-(2-methylpropyl)pyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.11768 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12496 161.9
[M+Na]+ 306.10690 168.4
[M-H]- 282.11040 161.7
[M+NH4]+ 301.15150 175.6
[M+K]+ 322.08084 162.3
[M+H-H2O]+ 266.11494 154.2
[M+HCOO]- 328.11588 169.8
[M+CH3COO]- 342.13153 204.1
[M+Na-2H]- 304.09235 158.8
[M]+ 283.11713 164.1
[M]- 283.11823 164.1
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.