CID 3074755

161364-67-6

Structural Information

Molecular Formula

C₁₆H₂₁NO₇S

SMILES

CCOC(=O)CC(=O)N1CCS(=O)(=O)C1COC2=CC=CC=C2OC

InChI

InChI=1S/C16H21NO7S/c1-3-23-16(19)10-14(18)17-8-9-25(20,21)15(17)11-24-13-7-5-4-6-12(13)22-2/h4-7,15H,3,8-11H2,1-2H3

InChIKey

FMCOVILDNWWUGH-UHFFFAOYSA-N

Compound name

ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazolidin-3-yl]-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 371.10388 Da
Monoisotopic Mass: 1.1
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]+	372.111156	180.9
[M+Na]+	394.093098	187.6
[M-H]-	370.096604	186.3
[M+NH4]+	389.137703	195.8
[M+K]+	410.067038	186.2
[M+H-H2O]+	354.101140	174.5
[M+HCOO]-	416.102081	196.3
[M+CH3COO]-	430.117731	209.8
[M+Na-2H]-	392.078546	179.5
[M]+	371.10333142	189.1
[M]-	371.10442858	189.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.