CID 6878523

478255-58-2

Structural Information

Molecular Formula
C15H14N4S2
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=C(C=CS3)C
InChI
InChI=1S/C15H14N4S2/c1-10-4-3-5-12(8-10)14-17-18-15(20)19(14)16-9-13-11(2)6-7-21-13/h3-9H,1-2H3,(H,18,20)/b16-9+
InChIKey
CDYMWYJNTFRUFQ-CXUHLZMHSA-N
Compound name
3-(3-methylphenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07326 170.4
[M+Na]+ 337.05520 184.5
[M+NH4]+ 332.09980 178.5
[M+K]+ 353.02914 176.2
[M-H]- 313.05870 175.6
[M+Na-2H]- 335.04065 178.3
[M]+ 314.06543 174.9
[M]- 314.06653 174.9
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.