CID 3065229

107321-80-2

Structural Information

Molecular Formula
C14H18N2O3S
SMILES
CCOC(=O)C1CSC(N1C(=O)CN)C2=CC=CC=C2
InChI
InChI=1S/C14H18N2O3S/c1-2-19-14(18)11-9-20-13(16(11)12(17)8-15)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9,15H2,1H3
InChIKey
LJAIXAJGSVEXEG-UHFFFAOYSA-N
Compound name
ethyl 3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10382 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11110 168.6
[M+Na]+ 317.09304 174.1
[M-H]- 293.09654 173.3
[M+NH4]+ 312.13764 184.2
[M+K]+ 333.06698 171.0
[M+H-H2O]+ 277.10108 161.1
[M+HCOO]- 339.10202 183.8
[M+CH3COO]- 353.11767 200.4
[M+Na-2H]- 315.07849 165.4
[M]+ 294.10327 169.1
[M]- 294.10437 169.1
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.