CID 3002290

5-(2-hydroxybenzoyl)pyrazine-2-carbothioamide

Structural Information

Molecular Formula
C12H9N3O2S
SMILES
C1=CC=C(C(=C1)C(=O)C2=CN=C(C=N2)C(=S)N)O
InChI
InChI=1S/C12H9N3O2S/c13-12(18)9-6-14-8(5-15-9)11(17)7-3-1-2-4-10(7)16/h1-6,16H,(H2,13,18)
InChIKey
VVJYTWUYWXNJNV-UHFFFAOYSA-N
Compound name
5-(2-hydroxybenzoyl)pyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.04153 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04881 155.5
[M+Na]+ 282.03075 163.7
[M-H]- 258.03425 158.3
[M+NH4]+ 277.07535 168.6
[M+K]+ 298.00469 158.2
[M+H-H2O]+ 242.03879 147.5
[M+HCOO]- 304.03973 170.5
[M+CH3COO]- 318.05538 193.5
[M+Na-2H]- 280.01620 157.3
[M]+ 259.04098 154.5
[M]- 259.04208 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.