CID 24208893

765286-88-2

Structural Information

Molecular Formula
C15H13N5S2
SMILES
CSC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3
InChI
InChI=1S/C15H13N5S2/c1-22-12-7-5-11(6-8-12)10-17-20-14(18-19-15(20)21)13-4-2-3-9-16-13/h2-10H,1H3,(H,19,21)/b17-10+
InChIKey
KQNQERBVVZYZER-LICLKQGHSA-N
Compound name
4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06125 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06853 171.2
[M+Na]+ 350.05047 183.1
[M-H]- 326.05397 176.7
[M+NH4]+ 345.09507 182.9
[M+K]+ 366.02441 173.9
[M+H-H2O]+ 310.05851 162.6
[M+HCOO]- 372.05945 183.6
[M+CH3COO]- 386.07510 181.9
[M+Na-2H]- 348.03592 171.8
[M]+ 327.06070 173.2
[M]- 327.06180 173.2
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.