CID 3000616

6-(1,2,4-triazol-1-yl)pyrazine-2-carbothioamide

Structural Information

Molecular Formula
C7H6N6S
SMILES
C1=C(N=C(C=N1)N2C=NC=N2)C(=S)N
InChI
InChI=1S/C7H6N6S/c8-7(14)5-1-9-2-6(12-5)13-4-10-3-11-13/h1-4H,(H2,8,14)
InChIKey
VABVYYLEUUIEHJ-UHFFFAOYSA-N
Compound name
6-(1,2,4-triazol-1-yl)pyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.03746 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04474 141.4
[M+Na]+ 229.02668 152.2
[M-H]- 205.03018 142.3
[M+NH4]+ 224.07128 155.5
[M+K]+ 245.00062 147.7
[M+H-H2O]+ 189.03472 132.4
[M+HCOO]- 251.03566 157.0
[M+CH3COO]- 265.05131 153.3
[M+Na-2H]- 227.01213 144.7
[M]+ 206.03691 141.1
[M]- 206.03801 141.1
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.