CID 3001178

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

Structural Information

Molecular Formula
C12H15N5OS
SMILES
C=CCN(CC=C)C1=NC(=CN=C1C(=O)N)C(=S)N
InChI
InChI=1S/C12H15N5OS/c1-3-5-17(6-4-2)12-9(10(13)18)15-7-8(16-12)11(14)19/h3-4,7H,1-2,5-6H2,(H2,13,18)(H2,14,19)
InChIKey
KSTZKPLYIQMIAJ-UHFFFAOYSA-N
Compound name
3-[bis(prop-2-enyl)amino]-5-carbamothioylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09973 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10701 164.0
[M+Na]+ 300.08895 170.1
[M-H]- 276.09245 165.3
[M+NH4]+ 295.13355 177.0
[M+K]+ 316.06289 165.5
[M+H-H2O]+ 260.09699 155.4
[M+HCOO]- 322.09793 180.7
[M+CH3COO]- 336.11358 209.4
[M+Na-2H]- 298.07440 162.8
[M]+ 277.09918 163.2
[M]- 277.10028 163.2
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.