CID 16428311

5-(3-methylphenyl)-4-((1-naphthylmethylene)amino)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C20H16N4S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H16N4S/c1-14-6-4-9-16(12-14)19-22-23-20(25)24(19)21-13-17-10-5-8-15-7-2-3-11-18(15)17/h2-13H,1H3,(H,23,25)/b21-13+
InChIKey
GBBRDAYSUNIHIG-FYJGNVAPSA-N
Compound name
3-(3-methylphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10956 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11684 179.5
[M+Na]+ 367.09878 197.3
[M+NH4]+ 362.14338 188.2
[M+K]+ 383.07272 186.9
[M-H]- 343.10228 186.4
[M+Na-2H]- 365.08423 190.6
[M]+ 344.10901 184.7
[M]- 344.11011 184.7
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.