CID 6859147

4-((4-ethoxybenzylidene)amino)-5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C17H15FN4OS
SMILES
CCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN4OS/c1-2-23-15-9-3-12(4-10-15)11-19-22-16(20-21-17(22)24)13-5-7-14(18)8-6-13/h3-11H,2H2,1H3,(H,21,24)/b19-11+
InChIKey
XDFSAHIGXBHHBX-YBFXNURJSA-N
Compound name
4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.09506 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10234 178.5
[M+Na]+ 365.08428 192.3
[M+NH4]+ 360.12888 184.8
[M+K]+ 381.05822 184.1
[M-H]- 341.08778 182.0
[M+Na-2H]- 363.06973 186.7
[M]+ 342.09451 181.8
[M]- 342.09561 181.8
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.