CID 2186137

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

Structural Information

Molecular Formula
C23H21N3O3S
SMILES
CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=CC=C4OCC=C)/SC3=N2
InChI
InChI=1S/C23H21N3O3S/c1-3-13-28-18-11-9-16(10-12-18)21-24-23-26(25-21)22(27)20(30-23)15-17-7-5-6-8-19(17)29-14-4-2/h4-12,15H,2-3,13-14H2,1H3/b20-15+
InChIKey
JGVOXXFQVLVNDL-HMMYKYKNSA-N
Compound name
(5E)-5-[(2-prop-2-enoxyphenyl)methylidene]-2-(4-propoxyphenyl)-[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

419.13037 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.13765 201.6
[M+Na]+ 442.11959 216.8
[M+NH4]+ 437.16419 207.9
[M+K]+ 458.09353 209.5
[M-H]- 418.12309 205.7
[M+Na-2H]- 440.10504 208.6
[M]+ 419.12982 205.4
[M]- 419.13092 205.4
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.