CID 1827749

618427-47-7

Structural Information

Molecular Formula
C16H14Cl2N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=NC=CN=C3
InChI
InChI=1S/C16H14Cl2N6OS/c1-2-24-15(13-8-19-3-4-20-13)22-23-16(24)26-9-14(25)21-12-6-10(17)5-11(18)7-12/h3-8H,2,9H2,1H3,(H,21,25)
InChIKey
VTPNRTTVDNALEN-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-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

408.03268 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.03996 191.0
[M+Na]+ 431.02190 206.5
[M+NH4]+ 426.06650 197.1
[M+K]+ 446.99584 198.2
[M-H]- 407.02540 194.4
[M+Na-2H]- 429.00735 199.0
[M]+ 408.03213 195.1
[M]- 408.03323 195.1
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.