CID 1891277

2-(5-((3,4-dichlorobenzyl)thio)-4-ethyl-4h-1,2,4-triazol-3-yl)pyrazine

Structural Information

Molecular Formula
C15H13Cl2N5S
SMILES
CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=NC=CN=C3
InChI
InChI=1S/C15H13Cl2N5S/c1-2-22-14(13-8-18-5-6-19-13)20-21-15(22)23-9-10-3-4-11(16)12(17)7-10/h3-8H,2,9H2,1H3
InChIKey
VHOXRMLIOIAMFV-UHFFFAOYSA-N
Compound name
2-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0269 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03418 182.3
[M+Na]+ 388.01612 200.0
[M+NH4]+ 383.06072 190.0
[M+K]+ 403.99006 190.1
[M-H]- 364.01962 186.3
[M+Na-2H]- 386.00157 191.3
[M]+ 365.02635 187.1
[M]- 365.02745 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.