CID 1978921

573972-33-5

Structural Information

Molecular Formula
C17H14Cl2N4OS2
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=CC=CS3
InChI
InChI=1S/C17H14Cl2N4OS2/c1-2-5-23-16(14-4-3-6-25-14)21-22-17(23)26-10-15(24)20-13-8-11(18)7-12(19)9-13/h2-4,6-9H,1,5,10H2,(H,20,24)
InChIKey
RFZKYGTVIULPJN-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-2-[(4-prop-2-enyl-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

423.9986 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.00588 196.6
[M+Na]+ 446.98782 210.5
[M+NH4]+ 442.03242 203.8
[M+K]+ 462.96176 201.3
[M-H]- 422.99132 200.8
[M+Na-2H]- 444.97327 203.0
[M]+ 423.99805 201.1
[M]- 423.99915 201.1
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.