CID 2060717

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

Structural Information

Molecular Formula
C21H19N3O3S
SMILES
CCOC1=C(C=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C)S2)OC
InChI
InChI=1S/C21H19N3O3S/c1-4-27-16-10-7-14(11-17(16)26-3)12-18-20(25)24-21(28-18)22-19(23-24)15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3/b18-12+
InChIKey
MSRIOXIOKSAGBZ-LDADJPATSA-N
Compound name
(5E)-5-[(4-ethoxy-3-methoxyphenyl)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

393.11472 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12200 194.3
[M+Na]+ 416.10394 210.2
[M+NH4]+ 411.14854 201.2
[M+K]+ 432.07788 203.6
[M-H]- 392.10744 198.8
[M+Na-2H]- 414.08939 201.5
[M]+ 393.11417 198.4
[M]- 393.11527 198.4
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.