CID 1978425

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

Structural Information

Molecular Formula
C23H23N3O3S
SMILES
CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C)S2)OCC
InChI
InChI=1S/C23H23N3O3S/c1-4-12-29-18-11-8-16(13-19(18)28-5-2)14-20-22(27)26-23(30-20)24-21(25-26)17-9-6-15(3)7-10-17/h6-11,13-14H,4-5,12H2,1-3H3/b20-14-
InChIKey
AMKMLKDMDJEACU-ZHZULCJRSA-N
Compound name
(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(4-methylphenyl)-[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

421.14603 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.153306 203.0
[M+Na]+ 444.135248 215.3
[M-H]- 420.138754 212.0
[M+NH4]+ 439.179853 215.3
[M+K]+ 460.109188 208.3
[M+H-H2O]+ 404.143290 194.3
[M+HCOO]- 466.144231 220.7
[M+CH3COO]- 480.159881 213.8
[M+Na-2H]- 442.120696 199.8
[M]+ 421.14548142 213.5
[M]- 421.14657858 213.5
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.