CID 5890178

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

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
CCC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OC)S2
InChI
InChI=1S/C20H17N3O2S/c1-3-13-4-6-14(7-5-13)12-17-19(24)23-20(26-17)21-18(22-23)15-8-10-16(25-2)11-9-15/h4-12H,3H2,1-2H3/b17-12-
InChIKey
USIQYRLRJFLQRE-ATVHPVEESA-N
Compound name
(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

363.10416 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 186.7
[M+Na]+ 386.09338 200.1
[M-H]- 362.09688 196.0
[M+NH4]+ 381.13798 201.3
[M+K]+ 402.06732 193.0
[M+H-H2O]+ 346.10142 178.4
[M+HCOO]- 408.10236 205.4
[M+CH3COO]- 422.11801 198.8
[M+Na-2H]- 384.07883 185.4
[M]+ 363.10361 194.6
[M]- 363.10471 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.