CID 5941443

(5z)-2-(4-ethoxyphenyl)-5-(2-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=C4OC)/SC3=N2
InChI
InChI=1S/C20H17N3O3S/c1-3-26-15-10-8-13(9-11-15)18-21-20-23(22-18)19(24)17(27-20)12-14-6-4-5-7-16(14)25-2/h4-12H,3H2,1-2H3/b17-12-
InChIKey
QPWAUZQRIOMNII-ATVHPVEESA-N
Compound name
(5Z)-2-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 189.7
[M+Na]+ 402.08828 202.6
[M-H]- 378.09178 198.9
[M+NH4]+ 397.13288 203.4
[M+K]+ 418.06222 196.2
[M+H-H2O]+ 362.09632 181.3
[M+HCOO]- 424.09726 208.5
[M+CH3COO]- 438.11291 201.5
[M+Na-2H]- 400.07373 188.6
[M]+ 379.09851 198.9
[M]- 379.09961 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.