CID 1890081

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

Structural Information

Molecular Formula
C23H23N3O5S
SMILES
CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=C(C(=C4)OC)OC)OC)/SC3=N2
InChI
InChI=1S/C23H23N3O5S/c1-5-10-31-16-8-6-15(7-9-16)21-24-23-26(25-21)22(27)19(32-23)13-14-11-17(28-2)20(30-4)18(12-14)29-3/h6-9,11-13H,5,10H2,1-4H3/b19-13+
InChIKey
VYOGNTJFMNVBIF-CPNJWEJPSA-N
Compound name
(5E)-2-(4-propoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-[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

453.13583 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.14311 210.4
[M+Na]+ 476.12505 225.2
[M+NH4]+ 471.16965 215.8
[M+K]+ 492.09899 219.4
[M-H]- 452.12855 214.0
[M+Na-2H]- 474.11050 216.0
[M]+ 453.13528 214.0
[M]- 453.13638 214.0
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.