CID 3001378

5-carbamothioyl-3-(propylamino)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C9H13N5OS
SMILES
CCCNC1=NC(=CN=C1C(=O)N)C(=S)N
InChI
InChI=1S/C9H13N5OS/c1-2-3-12-9-6(7(10)15)13-4-5(14-9)8(11)16/h4H,2-3H2,1H3,(H2,10,15)(H2,11,16)(H,12,14)
InChIKey
WGZZSCOAFHYCCN-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-(propylamino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.08408 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09136 152.3
[M+Na]+ 262.07330 159.0
[M-H]- 238.07680 152.6
[M+NH4]+ 257.11790 166.3
[M+K]+ 278.04724 154.8
[M+H-H2O]+ 222.08134 144.2
[M+HCOO]- 284.08228 169.1
[M+CH3COO]- 298.09793 198.8
[M+Na-2H]- 260.05875 153.1
[M]+ 239.08353 150.5
[M]- 239.08463 150.5
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.