CID 327596

72678-92-3

Structural Information

Molecular Formula

C₁₂H₁₅NO₄S

SMILES

COC1=C(C=C(C=C1)C2NC(CS2)C(=O)O)OC

InChI

InChI=1S/C12H15NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)

InChIKey

VVYKDOVBUSRSCZ-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 269.07217 Da
Monoisotopic Mass: -0.9
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]+	270.07945	159.8
[M+Na]+	292.06139	169.2
[M+NH4]+	287.10599	166.4
[M+K]+	308.03533	164.9
[M-H]-	268.06489	160.6
[M+Na-2H]-	290.04684	162.9
[M]+	269.07162	161.5
[M]-	269.07272	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe