CID 3002256

6-methylthio-5-isobutyl-2-pyrazinecarbothioamide

Structural Information

Molecular Formula
C10H15N3S2
SMILES
CC(C)CC1=NC=C(N=C1SC)C(=S)N
InChI
InChI=1S/C10H15N3S2/c1-6(2)4-7-10(15-3)13-8(5-12-7)9(11)14/h5-6H,4H2,1-3H3,(H2,11,14)
InChIKey
OCGIHJJTXMNXGT-UHFFFAOYSA-N
Compound name
5-(2-methylpropyl)-6-methylsulfanylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.07074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07802 149.6
[M+Na]+ 264.05996 157.5
[M-H]- 240.06346 149.9
[M+NH4]+ 259.10456 165.0
[M+K]+ 280.03390 152.0
[M+H-H2O]+ 224.06800 142.5
[M+HCOO]- 286.06894 158.4
[M+CH3COO]- 300.08459 195.4
[M+Na-2H]- 262.04541 147.8
[M]+ 241.07019 150.7
[M]- 241.07129 150.7
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.