CID 3001379

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

Structural Information

Molecular Formula
C14H23N5OS
SMILES
CCCCN(CCCC)C1=NC(=CN=C1C(=O)N)C(=S)N
InChI
InChI=1S/C14H23N5OS/c1-3-5-7-19(8-6-4-2)14-11(12(15)20)17-9-10(18-14)13(16)21/h9H,3-8H2,1-2H3,(H2,15,20)(H2,16,21)
InChIKey
MXBPOHYRHNQJAV-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-(dibutylamino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16232 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16960 174.1
[M+Na]+ 332.15154 178.7
[M-H]- 308.15504 174.9
[M+NH4]+ 327.19614 185.9
[M+K]+ 348.12548 174.9
[M+H-H2O]+ 292.15958 164.9
[M+HCOO]- 354.16052 189.7
[M+CH3COO]- 368.17617 216.9
[M+Na-2H]- 330.13699 171.9
[M]+ 309.16177 175.3
[M]- 309.16287 175.3
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.