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 193.3
[M+Na]+ 442.07266 202.4
[M-H]- 418.07616 197.2
[M+NH4]+ 437.11726 198.6
[M+K]+ 458.04660 194.6
[M+H-H2O]+ 402.08070 184.4
[M+HCOO]- 464.08164 202.6
[M+CH3COO]- 478.09729 222.9
[M+Na-2H]- 440.05811 195.0
[M]+ 419.08289 196.3
[M]- 419.08399 196.3
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.