CID 2060228

561294-87-9

Structural Information

Molecular Formula
C16H14Cl2N4OS2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=CC=CS3
InChI
InChI=1S/C16H14Cl2N4OS2/c1-2-22-15(13-4-3-5-24-13)20-21-16(22)25-9-14(23)19-12-7-10(17)6-11(18)8-12/h3-8H,2,9H2,1H3,(H,19,23)
InChIKey
WIIAIYAAWVUCHB-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.9986 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.00588 192.7
[M+Na]+ 434.98782 206.7
[M+NH4]+ 430.03242 200.3
[M+K]+ 450.96176 197.8
[M-H]- 410.99132 197.1
[M+Na-2H]- 432.97327 199.4
[M]+ 411.99805 197.3
[M]- 411.99915 197.3
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.