CID 16447981

624724-89-6

Structural Information

Molecular Formula
C17H17N5OS
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C17H17N5OS/c1-2-23-15-10-8-14(9-11-15)16-19-20-17(24)22(16)21-18-12-13-6-4-3-5-7-13/h3-12,21H,2H2,1H3,(H,20,24)/b18-12+
InChIKey
ISVCGBLDRYOFML-LDADJPATSA-N
Compound name
4-[(2E)-2-benzylidenehydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1154 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12268 177.7
[M+Na]+ 362.10462 191.0
[M+NH4]+ 357.14922 184.4
[M+K]+ 378.07856 182.9
[M-H]- 338.10812 182.9
[M+Na-2H]- 360.09007 186.9
[M]+ 339.11485 181.4
[M]- 339.11595 181.4
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.