CID 16429326

(5e)-2-(4-ethoxyphenyl)-5-(3-methoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C20H17N3O3S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=CC=C4)OC)/SC3=N2
InChI
InChI=1S/C20H17N3O3S/c1-3-26-15-9-7-14(8-10-15)18-21-20-23(22-18)19(24)17(27-20)12-13-5-4-6-16(11-13)25-2/h4-12H,3H2,1-2H3/b17-12+
InChIKey
RJYVCLJCIHPVFH-SFQUDFHCSA-N
Compound name
(5E)-2-(4-ethoxyphenyl)-5-[(3-methoxyphenyl)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

379.09906 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10634 189.1
[M+Na]+ 402.08828 205.0
[M+NH4]+ 397.13288 196.2
[M+K]+ 418.06222 198.4
[M-H]- 378.09178 193.6
[M+Na-2H]- 400.07373 196.9
[M]+ 379.09851 193.2
[M]- 379.09961 193.2
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.