CID 3061689

Brn 5558540

Structural Information

Molecular Formula

C₁₂H₁₃NO₄S

SMILES

COC1=CC(=C(C=C1)CC2C(=O)NC(=O)S2)OC

InChI

InChI=1S/C12H13NO4S/c1-16-8-4-3-7(9(6-8)17-2)5-10-11(14)13-12(15)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,15)

InChIKey

KGQRHOMYUSKNBZ-UHFFFAOYSA-N

Compound name

5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 267.05652 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]+	268.06380	160.0
[M+Na]+	290.04574	170.6
[M+NH4]+	285.09034	166.7
[M+K]+	306.01968	165.2
[M-H]-	266.04924	161.3
[M+Na-2H]-	288.03119	163.5
[M]+	267.05597	162.0
[M]-	267.05707	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe