CID 1865629

618427-35-3

Structural Information

Molecular Formula
C16H17N7O3S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=NC=CN=C3
InChI
InChI=1S/C16H17N7O3S2/c1-2-23-15(13-9-18-7-8-19-13)21-22-16(23)27-10-14(24)20-11-3-5-12(6-4-11)28(17,25)26/h3-9H,2,10H2,1H3,(H,20,24)(H2,17,25,26)
InChIKey
YPWKVIRXKVGNPA-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.08344 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.09072 189.8
[M+Na]+ 442.07266 200.1
[M+NH4]+ 437.11726 193.3
[M+K]+ 458.04660 194.6
[M-H]- 418.07616 191.7
[M+Na-2H]- 440.05811 196.2
[M]+ 419.08289 192.3
[M]- 419.08399 192.3
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.