CID 6878741

478253-82-6

Structural Information

Molecular Formula
C17H15ClN4S
SMILES
CCC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H15ClN4S/c1-2-12-7-9-13(10-8-12)11-19-22-16(20-21-17(22)23)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3,(H,21,23)/b19-11+
InChIKey
LOTGNNCDFCTIFT-YBFXNURJSA-N
Compound name
3-(2-chlorophenyl)-4-[(E)-(4-ethylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07788 179.3
[M+Na]+ 365.05982 195.5
[M+NH4]+ 360.10442 187.3
[M+K]+ 381.03376 185.6
[M-H]- 341.06332 184.8
[M+Na-2H]- 363.04527 188.7
[M]+ 342.07005 184.0
[M]- 342.07115 184.0
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.