CID 5935242

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

Structural Information

Molecular Formula
C19H15N3O3S
SMILES
COC1=C(C=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2)OC
InChI
InChI=1S/C19H15N3O3S/c1-24-14-9-8-12(10-15(14)25-2)11-16-18(23)22-19(26-16)20-17(21-22)13-6-4-3-5-7-13/h3-11H,1-2H3/b16-11+
InChIKey
RKYDQZMOIDOWOA-LFIBNONCSA-N
Compound name
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-[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

365.0834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09068 184.8
[M+Na]+ 388.07262 200.8
[M+NH4]+ 383.11722 192.1
[M+K]+ 404.04656 194.5
[M-H]- 364.07612 189.3
[M+Na-2H]- 386.05807 192.9
[M]+ 365.08285 188.9
[M]- 365.08395 188.9
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.