CID 6879988

478255-94-6

Structural Information

Molecular Formula
C17H16N4OS
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H16N4OS/c1-12-4-3-5-14(10-12)16-19-20-17(23)21(16)18-11-13-6-8-15(22-2)9-7-13/h3-11H,1-2H3,(H,20,23)/b18-11+
InChIKey
HAWRVXMORAWIOC-WOJGMQOQSA-N
Compound name
4-[(E)-(4-methoxyphenyl)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

324.1045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11178 175.6
[M+Na]+ 347.09372 190.5
[M+NH4]+ 342.13832 182.8
[M+K]+ 363.06766 182.1
[M-H]- 323.09722 180.7
[M+Na-2H]- 345.07917 184.7
[M]+ 324.10395 179.6
[M]- 324.10505 179.6
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.