CID 16429334

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

Structural Information

Molecular Formula
C20H17N3O3S
SMILES
CC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=CC(=C4)OC)OC)/SC3=N2
InChI
InChI=1S/C20H17N3O3S/c1-12-4-6-13(7-5-12)18-21-20-23(22-18)19(24)17(27-20)11-14-10-15(25-2)8-9-16(14)26-3/h4-11H,1-3H3/b17-11+
InChIKey
XIIVZSGRXWCUIW-GZTJUZNOSA-N
Compound name
(5E)-5-[(2,5-dimethoxyphenyl)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

379.09906 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.106336 190.2
[M+Na]+ 402.088278 203.9
[M-H]- 378.091784 199.8
[M+NH4]+ 397.132883 204.2
[M+K]+ 418.062218 197.5
[M+H-H2O]+ 362.096320 182.1
[M+HCOO]- 424.097261 208.9
[M+CH3COO]- 438.112911 202.3
[M+Na-2H]- 400.073726 188.4
[M]+ 379.09851142 199.8
[M]- 379.09960858 199.8
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.