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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.111096	168.6
[M+Na]+	317.093038	174.1
[M-H]-	293.096544	173.3
[M+NH4]+	312.137643	184.2
[M+K]+	333.066978	171.0
[M+H-H2O]+	277.101080	161.1
[M+HCOO]-	339.102021	183.8
[M+CH3COO]-	353.117671	200.4
[M+Na-2H]-	315.078486	165.4
[M]+	294.10327142	169.1
[M]-	294.10436858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.