CID 5941444

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

Structural Information

Molecular Formula
C21H19N3O4S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=C(C=CC(=C4)OC)OC)/SC3=N2
InChI
InChI=1S/C21H19N3O4S/c1-4-28-15-7-5-13(6-8-15)19-22-21-24(23-19)20(25)18(29-21)12-14-11-16(26-2)9-10-17(14)27-3/h5-12H,4H2,1-3H3/b18-12-
InChIKey
UEXLQEWTJDKWNQ-PDGQHHTCSA-N
Compound name
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)-[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

409.10962 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11690 197.6
[M+Na]+ 432.09884 213.1
[M+NH4]+ 427.14344 204.0
[M+K]+ 448.07278 207.0
[M-H]- 408.10234 201.7
[M+Na-2H]- 430.08429 204.5
[M]+ 409.10907 201.5
[M]- 409.11017 201.5
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.