CID 3068034

82697-74-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₂S

SMILES

CC1C(=O)NC(S1)C2=CC=CC=C2OC

InChI

InChI=1S/C11H13NO2S/c1-7-10(13)12-11(15-7)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H,12,13)

InChIKey

ONARVZUZXPSUJA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 223.0667 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]+	224.073976	147.9
[M+Na]+	246.055918	156.7
[M-H]-	222.059424	152.6
[M+NH4]+	241.100523	167.0
[M+K]+	262.029858	152.8
[M+H-H2O]+	206.063960	141.9
[M+HCOO]-	268.064901	164.0
[M+CH3COO]-	282.080551	184.0
[M+Na-2H]-	244.041366	147.5
[M]+	223.06615142	148.4
[M]-	223.06724858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe