CID 3001913

6-propylsulfanyl-5-tert.butylpyrazine-2-carbothioamide

Structural Information

Molecular Formula
C12H19N3S2
SMILES
CCCSC1=NC(=CN=C1C(C)(C)C)C(=S)N
InChI
InChI=1S/C12H19N3S2/c1-5-6-17-11-9(12(2,3)4)14-7-8(15-11)10(13)16/h7H,5-6H2,1-4H3,(H2,13,16)
InChIKey
KLGARMXBWBPHEU-UHFFFAOYSA-N
Compound name
5-tert-butyl-6-propylsulfanylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.10205 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10933 160.0
[M+Na]+ 292.09127 167.7
[M-H]- 268.09477 160.2
[M+NH4]+ 287.13587 174.5
[M+K]+ 308.06521 161.7
[M+H-H2O]+ 252.09931 152.9
[M+HCOO]- 314.10025 167.9
[M+CH3COO]- 328.11590 200.1
[M+Na-2H]- 290.07672 159.0
[M]+ 269.10150 161.7
[M]- 269.10260 161.7
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.