CID 3001182

3-anilino-5-carbamothioyl-pyrazine-2-carboxamide

Structural Information

Molecular Formula
C12H11N5OS
SMILES
C1=CC=C(C=C1)NC2=NC(=CN=C2C(=O)N)C(=S)N
InChI
InChI=1S/C12H11N5OS/c13-10(18)9-12(16-7-4-2-1-3-5-7)17-8(6-15-9)11(14)19/h1-6H,(H2,13,18)(H2,14,19)(H,16,17)
InChIKey
JNJIDFOBZXYUFH-UHFFFAOYSA-N
Compound name
3-anilino-5-carbamothioylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.075696 159.1
[M+Na]+ 296.057638 166.1
[M-H]- 272.061144 162.6
[M+NH4]+ 291.102243 171.4
[M+K]+ 312.031578 160.5
[M+H-H2O]+ 256.065680 150.2
[M+HCOO]- 318.066621 176.6
[M+CH3COO]- 332.082271 203.6
[M+Na-2H]- 294.043086 161.7
[M]+ 273.06787142 156.2
[M]- 273.06896858 156.2
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.