CID 16429460

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

Structural Information

Molecular Formula
C23H23N3O4S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=C(C=C4)OCC)OCC)/SC3=N2
InChI
InChI=1S/C23H23N3O4S/c1-4-28-17-10-8-16(9-11-17)21-24-23-26(25-21)22(27)20(31-23)14-15-7-12-18(29-5-2)19(13-15)30-6-3/h7-14H,4-6H2,1-3H3/b20-14+
InChIKey
YNWIKESCPXYMGC-XSFVSMFZSA-N
Compound name
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)-[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

437.14093 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.14821 205.7
[M+Na]+ 460.13015 217.5
[M-H]- 436.13365 214.7
[M+NH4]+ 455.17475 217.1
[M+K]+ 476.10409 211.3
[M+H-H2O]+ 420.13819 196.9
[M+HCOO]- 482.13913 223.6
[M+CH3COO]- 496.15478 216.3
[M+Na-2H]- 458.11560 202.8
[M]+ 437.14038 217.5
[M]- 437.14148 217.5
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.