CID 6371591

(5e)-5-(4-ethylbenzylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C20H17N3OS
SMILES
CCC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C)S2
InChI
InChI=1S/C20H17N3OS/c1-3-14-6-8-15(9-7-14)12-17-19(24)23-20(25-17)21-18(22-23)16-10-4-13(2)5-11-16/h4-12H,3H2,1-2H3/b17-12+
InChIKey
DPVNDTMKOBJUOK-SFQUDFHCSA-N
Compound name
(5E)-5-[(4-ethylphenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.10922 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11650 182.1
[M+Na]+ 370.09844 199.0
[M+NH4]+ 365.14304 190.4
[M+K]+ 386.07238 191.3
[M-H]- 346.10194 187.5
[M+Na-2H]- 368.08389 190.8
[M]+ 347.10867 186.7
[M]- 347.10977 186.7
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.