CID 504548

2-thiazolidineacetic acid, 4-carboxy-alpha-formamido-5,5-dimethyl-, diethyl ester

Structural Information

Molecular Formula
C13H22N2O5S
SMILES
CCOC(=O)C1C(SC(N1)C(C(=O)OCC)NC=O)(C)C
InChI
InChI=1S/C13H22N2O5S/c1-5-19-11(17)8(14-7-16)10-15-9(12(18)20-6-2)13(3,4)21-10/h7-10,15H,5-6H2,1-4H3,(H,14,16)
InChIKey
MXIQGNBBQIJFIZ-UHFFFAOYSA-N
Compound name
ethyl 2-(2-ethoxy-1-formamido-2-oxoethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12494 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13222 172.1
[M+Na]+ 341.11416 176.4
[M-H]- 317.11766 172.2
[M+NH4]+ 336.15876 188.2
[M+K]+ 357.08810 175.0
[M+H-H2O]+ 301.12220 166.8
[M+HCOO]- 363.12314 184.5
[M+CH3COO]- 377.13879 203.9
[M+Na-2H]- 339.09961 169.0
[M]+ 318.12439 175.7
[M]- 318.12549 175.7
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.