CID 2732612

Maybridge2_000519

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₃S

SMILES

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCSCC3

InChI

InChI=1S/C15H18N2O3S/c1-20-12-4-2-11(3-5-12)17-14(18)10-13(15(17)19)16-6-8-21-9-7-16/h2-5,13H,6-10H2,1H3

InChIKey

UEKXSVMWSFWOOM-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 306.10382 Da
Monoisotopic Mass: 1.3
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]+	307.111096	170.6
[M+Na]+	329.093038	177.3
[M-H]-	305.096544	177.4
[M+NH4]+	324.137643	184.9
[M+K]+	345.066978	173.3
[M+H-H2O]+	289.101080	162.2
[M+HCOO]-	351.102021	183.2
[M+CH3COO]-	365.117671	200.8
[M+Na-2H]-	327.078486	167.4
[M]+	306.10327142	169.1
[M]-	306.10436858	169.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.