CID 3025452

103181-49-3

Structural Information

Molecular Formula

C₁₄H₁₉NO₄S

SMILES

CCOC(=O)C1CSC(N1)COC2=CC=CC=C2OC

InChI

InChI=1S/C14H19NO4S/c1-3-18-14(16)10-9-20-13(15-10)8-19-12-7-5-4-6-11(12)17-2/h4-7,10,13,15H,3,8-9H2,1-2H3

InChIKey

OKTXFBBOSXJDEZ-UHFFFAOYSA-N

Compound name

ethyl 2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 297.1035 Da
Monoisotopic Mass: 2.3
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]+	298.110776	168.0
[M+Na]+	320.092718	173.8
[M-H]-	296.096224	171.8
[M+NH4]+	315.137323	183.5
[M+K]+	336.066658	170.9
[M+H-H2O]+	280.100760	160.9
[M+HCOO]-	342.101701	182.6
[M+CH3COO]-	356.117351	196.2
[M+Na-2H]-	318.078166	166.1
[M]+	297.10295142	171.2
[M]-	297.10404858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe