CID 3074756

161364-68-7

Structural Information

Molecular Formula

C₁₈H₂₅NO₅S

SMILES

CCOC(=O)C(C)(C)C(=O)N1CCSC1COC2=CC=CC=C2OC

InChI

InChI=1S/C18H25NO5S/c1-5-23-17(21)18(2,3)16(20)19-10-11-25-15(19)12-24-14-9-7-6-8-13(14)22-4/h6-9,15H,5,10-12H2,1-4H3

InChIKey

BBCSPZIDOSQDPM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 367.14536 Da
Monoisotopic Mass: 3.3
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]+	368.152636	188.2
[M+Na]+	390.134578	192.7
[M-H]-	366.138084	193.0
[M+NH4]+	385.179183	201.4
[M+K]+	406.108518	191.0
[M+H-H2O]+	350.142620	180.9
[M+HCOO]-	412.143561	200.7
[M+CH3COO]-	426.159211	212.4
[M+Na-2H]-	388.120026	185.2
[M]+	367.14481142	194.2
[M]-	367.14590858	194.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.