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

101
Patents

323.11914 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.126416 177.1
[M+Na]+ 346.108358 180.8
[M-H]- 322.111864 180.3
[M+NH4]+ 341.152963 191.0
[M+K]+ 362.082298 178.0
[M+H-H2O]+ 306.116400 169.7
[M+HCOO]- 368.117341 189.0
[M+CH3COO]- 382.132991 201.3
[M+Na-2H]- 344.093806 172.7
[M]+ 323.11859142 178.6
[M]- 323.11968858 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