CID 3001392

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

Structural Information

Molecular Formula
C13H19N5OS
SMILES
C1CCCC(CC1)NC2=NC(=CN=C2C(=O)N)C(=S)N
InChI
InChI=1S/C13H19N5OS/c14-11(19)10-13(18-9(7-16-10)12(15)20)17-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,14,19)(H2,15,20)(H,17,18)
InChIKey
RVCQVUJFFQUDCZ-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-(cycloheptylamino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13104 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13832 167.6
[M+Na]+ 316.12026 169.2
[M-H]- 292.12376 170.9
[M+NH4]+ 311.16486 177.9
[M+K]+ 332.09420 170.7
[M+H-H2O]+ 276.12830 157.5
[M+HCOO]- 338.12924 180.0
[M+CH3COO]- 352.14489 207.9
[M+Na-2H]- 314.10571 166.2
[M]+ 293.13049 158.0
[M]- 293.13159 158.0
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.