CID 6859345

478255-53-7

Structural Information

Molecular Formula
C18H18N4S
SMILES
CCC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC(=C3)C
InChI
InChI=1S/C18H18N4S/c1-3-14-7-9-15(10-8-14)12-19-22-17(20-21-18(22)23)16-6-4-5-13(2)11-16/h4-12H,3H2,1-2H3,(H,21,23)/b19-12+
InChIKey
WFMVHOMLPWFORF-XDHOZWIPSA-N
Compound name
4-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1252 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13248 176.5
[M+Na]+ 345.11442 191.7
[M+NH4]+ 340.15902 184.1
[M+K]+ 361.08836 182.6
[M-H]- 321.11792 182.1
[M+Na-2H]- 343.09987 185.8
[M]+ 322.12465 180.8
[M]- 322.12575 180.8
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.