CID 1854928

Dtxsid801333705

Structural Information

Molecular Formula
C17H15N5S
SMILES
C/C(=C\C1=CC=CC=C1)/C=NN2C(=NNC2=S)C3=CC=CC=N3
InChI
InChI=1S/C17H15N5S/c1-13(11-14-7-3-2-4-8-14)12-19-22-16(20-21-17(22)23)15-9-5-6-10-18-15/h2-12H,1H3,(H,21,23)/b13-11+,19-12?
InChIKey
AHVPKPLOXULYMX-AOWAQQDZSA-N
Compound name
4-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

321.10483 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11211 173.2
[M+Na]+ 344.09405 187.4
[M+NH4]+ 339.13865 179.8
[M+K]+ 360.06799 179.2
[M-H]- 320.09755 177.4
[M+Na-2H]- 342.07950 182.5
[M]+ 321.10428 176.7
[M]- 321.10538 176.7
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.