CID 2034654

565446-72-2

Structural Information

Molecular Formula
C16H17N5O3S3
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CS3
InChI
InChI=1S/C16H17N5O3S3/c1-2-21-15(13-4-3-9-25-13)19-20-16(21)26-10-14(22)18-11-5-7-12(8-6-11)27(17,23)24/h3-9H,2,10H2,1H3,(H,18,22)(H2,17,23,24)
InChIKey
INAYTXPJLOLZPD-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-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

423.04935 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.05663 191.6
[M+Na]+ 446.03857 200.4
[M+NH4]+ 441.08317 196.7
[M+K]+ 462.01251 194.3
[M-H]- 422.04207 194.4
[M+Na-2H]- 444.02402 196.7
[M]+ 423.04880 194.7
[M]- 423.04990 194.7
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.