CID 134071

Mezolidon

Structural Information

Molecular Formula

C₁₂H₁₅NO₃S

SMILES

CC1C(=O)NC(S1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C12H15NO3S/c1-7-11(14)13-12(17-7)8-4-5-9(15-2)10(6-8)16-3/h4-7,12H,1-3H3,(H,13,14)

InChIKey

AUPNGGXXLZJAHC-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 16
Patents: 253.07727 Da
Monoisotopic Mass: 2.0
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]+	254.08455	157.0
[M+Na]+	276.06649	168.2
[M+NH4]+	271.11109	164.7
[M+K]+	292.04043	162.4
[M-H]-	252.06999	159.1
[M+Na-2H]-	274.05194	161.2
[M]+	253.07672	159.5
[M]-	253.07782	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe