CID 1783648

2-[(5z)-5-(3-ethoxy-4-propoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate

Structural Information

Molecular Formula
C24H23N3O5S
SMILES
CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2)OCC
InChI
InChI=1S/C24H23N3O5S/c1-4-12-31-19-11-10-16(13-20(19)30-5-2)14-21-23(29)27-24(33-21)25-22(26-27)17-8-6-7-9-18(17)32-15(3)28/h6-11,13-14H,4-5,12H2,1-3H3/b21-14-
InChIKey
CPOQXBRFCAINEA-STZFKDTASA-N
Compound name
[2-[(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.13583 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.14311 212.3
[M+Na]+ 488.12505 226.2
[M+NH4]+ 483.16965 217.2
[M+K]+ 504.09899 220.8
[M-H]- 464.12855 215.4
[M+Na-2H]- 486.11050 217.8
[M]+ 465.13528 215.5
[M]- 465.13638 215.5
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.