CID 1852894

573941-79-4

Structural Information

Molecular Formula
C17H18N6O3S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CN=CC=C3
InChI
InChI=1S/C17H18N6O3S2/c1-2-23-16(12-4-3-9-19-10-12)21-22-17(23)27-11-15(24)20-13-5-7-14(8-6-13)28(18,25)26/h3-10H,2,11H2,1H3,(H,20,24)(H2,18,25,26)
InChIKey
UWEBAAGRBBGPOA-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-3-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

418.0882 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09548 191.2
[M+Na]+ 441.07742 201.4
[M+NH4]+ 436.12202 195.3
[M+K]+ 457.05136 195.3
[M-H]- 417.08092 193.7
[M+Na-2H]- 439.06287 197.7
[M]+ 418.08765 193.9
[M]- 418.08875 193.9
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.