CID 3043300

55322-70-8

Structural Information

Molecular Formula
C16H21NO4S
SMILES
CCOC(=O)C1CSC(N1)C(C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C16H21NO4S/c1-3-20-15(18)12-10-22-14(17-12)13(16(19)21-4-2)11-8-6-5-7-9-11/h5-9,12-14,17H,3-4,10H2,1-2H3
InChIKey
GYWXIPVJXCUFMP-UHFFFAOYSA-N
Compound name
ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

323.11914 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12642 177.1
[M+Na]+ 346.10836 180.8
[M-H]- 322.11186 180.3
[M+NH4]+ 341.15296 191.0
[M+K]+ 362.08230 178.0
[M+H-H2O]+ 306.11640 169.7
[M+HCOO]- 368.11734 189.0
[M+CH3COO]- 382.13299 201.3
[M+Na-2H]- 344.09381 172.7
[M]+ 323.11859 178.6
[M]- 323.11969 178.6
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

patents stripe