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 190.3
[M+Na]+ 402.08828 204.4
[M-H]- 378.09178 199.0
[M+NH4]+ 397.13288 203.9
[M+K]+ 418.06222 197.2
[M+H-H2O]+ 362.09632 182.9
[M+HCOO]- 424.09726 207.6
[M+CH3COO]- 438.11291 202.1
[M+Na-2H]- 400.07373 187.7
[M]+ 379.09851 198.7
[M]- 379.09961 198.7
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.