CID 3003111

2-hydroxy-n-(3-pyrazin-2-yl-5-sulfanyl-1,2,4-triazol-4-yl)benzamide

Structural Information

Molecular Formula
C13H10N6O2S
SMILES
C1=CC=C(C(=C1)C(=O)NN2C(=NNC2=S)C3=NC=CN=C3)O
InChI
InChI=1S/C13H10N6O2S/c20-10-4-2-1-3-8(10)12(21)18-19-11(16-17-13(19)22)9-7-14-5-6-15-9/h1-7,20H,(H,17,22)(H,18,21)
InChIKey
GSHDIZCIRAJIIB-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0586 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06588 168.8
[M+Na]+ 337.04782 179.0
[M-H]- 313.05132 171.2
[M+NH4]+ 332.09242 177.2
[M+K]+ 353.02176 171.3
[M+H-H2O]+ 297.05586 159.5
[M+HCOO]- 359.05680 182.1
[M+CH3COO]- 373.07245 178.3
[M+Na-2H]- 335.03327 170.9
[M]+ 314.05805 168.3
[M]- 314.05915 168.3
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.