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 175.1
[M+Na]+ 344.09405 184.4
[M-H]- 320.09755 180.3
[M+NH4]+ 339.13865 185.9
[M+K]+ 360.06799 176.1
[M+H-H2O]+ 304.10209 164.8
[M+HCOO]- 366.10303 191.1
[M+CH3COO]- 380.11868 185.1
[M+Na-2H]- 342.07950 176.3
[M]+ 321.10428 175.1
[M]- 321.10538 175.1
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.