CID 1985348

(5z)-2-(4-chlorophenyl)-5-(3-ethoxy-4-propoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C22H20ClN3O3S
SMILES
CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2)OCC
InChI
InChI=1S/C22H20ClN3O3S/c1-3-11-29-17-10-5-14(12-18(17)28-4-2)13-19-21(27)26-22(30-19)24-20(25-26)15-6-8-16(23)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3/b19-13-
InChIKey
JJHJRJKBCCVPOQ-UYRXBGFRSA-N
Compound name
(5Z)-2-(4-chlorophenyl)-5-[(3-ethoxy-4-propoxyphenyl)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

441.0914 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.09868 205.1
[M+Na]+ 464.08062 221.6
[M+NH4]+ 459.12522 212.1
[M+K]+ 480.05456 213.7
[M-H]- 440.08412 209.6
[M+Na-2H]- 462.06607 212.1
[M]+ 441.09085 209.6
[M]- 441.09195 209.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.