CID 1892679

618427-50-2

Structural Information

Molecular Formula
C17H17ClN6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)C)C3=NC=CN=C3
InChI
InChI=1S/C17H17ClN6OS/c1-3-24-16(14-9-19-6-7-20-14)22-23-17(24)26-10-15(25)21-13-5-4-12(18)8-11(13)2/h4-9H,3,10H2,1-2H3,(H,21,25)
InChIKey
WVVWVZKQQDRLOJ-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0873 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09458 188.9
[M+Na]+ 411.07652 203.8
[M+NH4]+ 406.12112 194.8
[M+K]+ 427.05046 196.1
[M-H]- 387.08002 192.5
[M+Na-2H]- 409.06197 196.9
[M]+ 388.08675 192.7
[M]- 388.08785 192.7
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.