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 195.0
[M-H]- 373.15912 196.3
[M+NH4]+ 392.20022 203.7
[M+K]+ 413.12956 190.3
[M+H-H2O]+ 357.16366 181.8
[M+HCOO]- 419.16460 200.6
[M+CH3COO]- 433.18025 212.6
[M+Na-2H]- 395.14107 186.0
[M]+ 374.16585 189.2
[M]- 374.16695 189.2
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.