CID 6446058

Ethyl (3-ethyl-4-oxo-5-phenyl-5-(1-piperidinyl)-2-thiazolidinylidene)acetate

Structural Information

Molecular Formula
C20H26N2O3S
SMILES
CCN1/C(=C/C(=O)OCC)/SC(C1=O)(C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C20H26N2O3S/c1-3-22-17(15-18(23)25-4-2)26-20(19(22)24,16-11-7-5-8-12-16)21-13-9-6-10-14-21/h5,7-8,11-12,15H,3-4,6,9-10,13-14H2,1-2H3/b17-15-
InChIKey
MCLDUTKQKHXDCZ-ICFOKQHNSA-N
Compound name
ethyl (2Z)-2-(3-ethyl-4-oxo-5-phenyl-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1664 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17368 190.4
[M+Na]+ 397.15562 199.9
[M+NH4]+ 392.20022 198.0
[M+K]+ 413.12956 191.3
[M-H]- 373.15912 193.3
[M+Na-2H]- 395.14107 195.9
[M]+ 374.16585 192.9
[M]- 374.16695 192.9
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.