CID 6533506

(5z)-5-(4-hydroxy-3,5-dimethylbenzylidene)-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C20H17N3O3S
SMILES
CC1=CC(=CC(=C1O)C)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OC)S2
InChI
InChI=1S/C20H17N3O3S/c1-11-8-13(9-12(2)17(11)24)10-16-19(25)23-20(27-16)21-18(22-23)14-4-6-15(26-3)7-5-14/h4-10,24H,1-3H3/b16-10-
InChIKey
WKWRIECDGBTNHF-YBEGLDIGSA-N
Compound name
(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-(4-methoxyphenyl)-[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

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10634 191.1
[M+Na]+ 402.08828 207.1
[M+NH4]+ 397.13288 197.8
[M+K]+ 418.06222 201.1
[M-H]- 378.09178 195.2
[M+Na-2H]- 400.07373 197.7
[M]+ 379.09851 195.1
[M]- 379.09961 195.1
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.