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 183.5
[M+Na]+ 370.09844 197.2
[M-H]- 346.10194 192.7
[M+NH4]+ 365.14304 198.9
[M+K]+ 386.07238 189.4
[M+H-H2O]+ 330.10648 175.3
[M+HCOO]- 392.10742 202.0
[M+CH3COO]- 406.12307 195.8
[M+Na-2H]- 368.08389 182.0
[M]+ 347.10867 190.1
[M]- 347.10977 190.1
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.