CID 6880027

478255-54-8

Structural Information

Molecular Formula
C15H13N5S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CN=CC=C3
InChI
InChI=1S/C15H13N5S/c1-11-4-2-6-13(8-11)14-18-19-15(21)20(14)17-10-12-5-3-7-16-9-12/h2-10H,1H3,(H,19,21)/b17-10+
InChIKey
YDLSMCFUZSWRRC-LICLKQGHSA-N
Compound name
3-(3-methylphenyl)-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08917 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09645 166.4
[M+Na]+ 318.07839 181.6
[M+NH4]+ 313.12299 173.6
[M+K]+ 334.05233 173.3
[M-H]- 294.08189 171.1
[M+Na-2H]- 316.06384 176.2
[M]+ 295.08862 170.3
[M]- 295.08972 170.3
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.