CID 3001394

5-carbamothioyl-3-(1-piperidyl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C11H15N5OS
SMILES
C1CCN(CC1)C2=NC(=CN=C2C(=O)N)C(=S)N
InChI
InChI=1S/C11H15N5OS/c12-9(17)8-11(16-4-2-1-3-5-16)15-7(6-14-8)10(13)18/h6H,1-5H2,(H2,12,17)(H2,13,18)
InChIKey
HMUVESRSYOVDLH-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-piperidin-1-ylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09973 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10701 159.2
[M+Na]+ 288.08895 164.5
[M-H]- 264.09245 160.4
[M+NH4]+ 283.13355 170.6
[M+K]+ 304.06289 159.7
[M+H-H2O]+ 248.09699 150.3
[M+HCOO]- 310.09793 170.5
[M+CH3COO]- 324.11358 199.3
[M+Na-2H]- 286.07440 158.8
[M]+ 265.09918 153.0
[M]- 265.10028 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.