CID 3001184

5-carbamothioyl-3-(4-hydroxyanilino)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C12H11N5O2S
SMILES
C1=CC(=CC=C1NC2=NC(=CN=C2C(=O)N)C(=S)N)O
InChI
InChI=1S/C12H11N5O2S/c13-10(19)9-12(17-8(5-15-9)11(14)20)16-6-1-3-7(18)4-2-6/h1-5,18H,(H2,13,19)(H2,14,20)(H,16,17)
InChIKey
AYXVDHMFGSLMHA-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-(4-hydroxyanilino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06335 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07063 162.7
[M+Na]+ 312.05257 169.8
[M-H]- 288.05607 165.1
[M+NH4]+ 307.09717 173.7
[M+K]+ 328.02651 164.0
[M+H-H2O]+ 272.06061 154.1
[M+HCOO]- 334.06155 178.8
[M+CH3COO]- 348.07720 205.0
[M+Na-2H]- 310.03802 164.2
[M]+ 289.06280 159.7
[M]- 289.06390 159.7
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.