CID 6446057

Acetic acid, (5-ethyl-3-methyl-4-oxo-5-phenyl-2-thiazolidinylidene)-, ethyl ester

Structural Information

Molecular Formula
C16H19NO3S
SMILES
CCC1(C(=O)N(/C(=C\C(=O)OCC)/S1)C)C2=CC=CC=C2
InChI
InChI=1S/C16H19NO3S/c1-4-16(12-9-7-6-8-10-12)15(19)17(3)13(21-16)11-14(18)20-5-2/h6-11H,4-5H2,1-3H3/b13-11+
InChIKey
FJCGJUCPKHTNFJ-ACCUITESSA-N
Compound name
ethyl (2E)-2-(5-ethyl-3-methyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.10855 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11583 172.7
[M+Na]+ 328.09777 183.1
[M+NH4]+ 323.14237 180.8
[M+K]+ 344.07171 174.8
[M-H]- 304.10127 174.3
[M+Na-2H]- 326.08322 177.9
[M]+ 305.10800 175.0
[M]- 305.10910 175.0
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.