CID 6516870

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

Structural Information

Molecular Formula
C23H23N3O4S
SMILES
CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OC)S2)OCC
InChI
InChI=1S/C23H23N3O4S/c1-4-12-30-18-11-6-15(13-19(18)29-5-2)14-20-22(27)26-23(31-20)24-21(25-26)16-7-9-17(28-3)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3/b20-14-
InChIKey
FQTLMFZJHFYGTP-ZHZULCJRSA-N
Compound name
(5Z)-5-[(3-ethoxy-4-propoxyphenyl)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

0
References

0
Patents

437.14093 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.14821 206.2
[M+Na]+ 460.13015 221.3
[M+NH4]+ 455.17475 212.2
[M+K]+ 476.10409 214.7
[M-H]- 436.13365 210.2
[M+Na-2H]- 458.11560 212.6
[M]+ 437.14038 210.0
[M]- 437.14148 210.0
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.