CID 1852677

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

Structural Information

Molecular Formula
C15H13Cl2N5S
SMILES
CCN1C(=NN=C1SCC2=C(C=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)7-12(10)17/h3-8H,2,9H2,1H3
InChIKey
BTDLHIYCCJPRFY-UHFFFAOYSA-N
Compound name
2-[5-[(2,4-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 178.4
[M+Na]+ 388.01612 190.8
[M-H]- 364.01962 181.8
[M+NH4]+ 383.06072 188.2
[M+K]+ 403.99006 182.4
[M+H-H2O]+ 348.02416 167.9
[M+HCOO]- 410.02510 182.9
[M+CH3COO]- 424.04075 188.1
[M+Na-2H]- 386.00157 177.8
[M]+ 365.02635 184.6
[M]- 365.02745 184.6
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.