CID 3074754

161364-66-5

Structural Information

Molecular Formula

C₁₆H₂₁NO₆S

SMILES

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

InChI

InChI=1S/C16H21NO6S/c1-3-22-16(19)10-14(18)17-8-9-24(20)15(17)11-23-13-7-5-4-6-12(13)21-2/h4-7,15H,3,8-11H2,1-2H3

InChIKey

YYTYBZRYRDEXJC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 355.10895 Da
Monoisotopic Mass: 0.7
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]+	356.116226	180.8
[M+Na]+	378.098168	186.7
[M-H]-	354.101674	186.0
[M+NH4]+	373.142773	194.4
[M+K]+	394.072108	184.8
[M+H-H2O]+	338.106210	173.3
[M+HCOO]-	400.107151	195.8
[M+CH3COO]-	414.122801	208.8
[M+Na-2H]-	376.083616	177.1
[M]+	355.10840142	187.7
[M]-	355.10949858	187.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.