CID 134071

82697-73-2

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: 25
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]+	254.084546	155.2
[M+Na]+	276.066488	164.1
[M-H]-	252.069994	160.0
[M+NH4]+	271.111093	173.2
[M+K]+	292.040428	160.6
[M+H-H2O]+	236.074530	149.0
[M+HCOO]-	298.075471	171.1
[M+CH3COO]-	312.091121	190.4
[M+Na-2H]-	274.051936	153.8
[M]+	253.07672142	157.8
[M]-	253.07781858	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe