CID 3002261

6-butylthio-5-propyl-2-pyrazinecarbothioamide

Structural Information

Molecular Formula
C12H19N3S2
SMILES
CCCCSC1=NC(=CN=C1CCC)C(=S)N
InChI
InChI=1S/C12H19N3S2/c1-3-5-7-17-12-9(6-4-2)14-8-10(15-12)11(13)16/h8H,3-7H2,1-2H3,(H2,13,16)
InChIKey
BOSZQODKTMQVNL-UHFFFAOYSA-N
Compound name
6-butylsulfanyl-5-propylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.10205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10933 157.5
[M+Na]+ 292.09127 164.9
[M-H]- 268.09477 157.4
[M+NH4]+ 287.13587 171.9
[M+K]+ 308.06521 158.5
[M+H-H2O]+ 252.09931 150.0
[M+HCOO]- 314.10025 166.9
[M+CH3COO]- 328.11590 200.4
[M+Na-2H]- 290.07672 155.8
[M]+ 269.10150 159.9
[M]- 269.10260 159.9
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.