CID 704671

32261-88-4

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S

SMILES

CCOC1=CC=C(C=C1)N2C(=O)CNC2=S

InChI

InChI=1S/C11H12N2O2S/c1-2-15-9-5-3-8(4-6-9)13-10(14)7-12-11(13)16/h3-6H,2,7H2,1H3,(H,12,16)

InChIKey

WCPYYANHAHKFBP-UHFFFAOYSA-N

Compound name

3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 236.06195 Da
Monoisotopic Mass: 1.8
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]+	237.06923	151.5
[M+Na]+	259.05117	160.6
[M-H]-	235.05467	154.8
[M+NH4]+	254.09577	168.6
[M+K]+	275.02511	156.0
[M+H-H2O]+	219.05921	144.6
[M+HCOO]-	281.06015	166.5
[M+CH3COO]-	295.07580	186.0
[M+Na-2H]-	257.03662	150.8
[M]+	236.06140	151.7
[M]-	236.06250	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.