CID 5890178

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

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
CCC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OC)S2
InChI
InChI=1S/C20H17N3O2S/c1-3-13-4-6-14(7-5-13)12-17-19(24)23-20(26-17)21-18(22-23)15-8-10-16(25-2)11-9-15/h4-12H,3H2,1-2H3/b17-12-
InChIKey
USIQYRLRJFLQRE-ATVHPVEESA-N
Compound name
(5Z)-5-[(4-ethylphenyl)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

363.10416 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.111436 186.7
[M+Na]+ 386.093378 200.1
[M-H]- 362.096884 196.0
[M+NH4]+ 381.137983 201.3
[M+K]+ 402.067318 193.0
[M+H-H2O]+ 346.101420 178.4
[M+HCOO]- 408.102361 205.4
[M+CH3COO]- 422.118011 198.8
[M+Na-2H]- 384.078826 185.4
[M]+ 363.10361142 194.6
[M]- 363.10470858 194.6
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.