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]+ 380.106336 189.7
[M+Na]+ 402.088278 202.6
[M-H]- 378.091784 198.9
[M+NH4]+ 397.132883 203.4
[M+K]+ 418.062218 196.2
[M+H-H2O]+ 362.096320 181.3
[M+HCOO]- 424.097261 208.5
[M+CH3COO]- 438.112911 201.5
[M+Na-2H]- 400.073726 188.6
[M]+ 379.09851142 198.9
[M]- 379.09960858 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.