CID 757480

39123-62-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

COC1=CC=C(C=C1)N2C(=O)CNC2=S

InChI

InChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)12-9(13)6-11-10(12)15/h2-5H,6H2,1H3,(H,11,15)

InChIKey

CMXIZNWHIOYYKH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 12
Patents: 222.0463 Da
Monoisotopic Mass: 1.4
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]+	223.053576	147.2
[M+Na]+	245.035518	156.8
[M-H]-	221.039024	150.6
[M+NH4]+	240.080123	164.8
[M+K]+	261.009458	152.3
[M+H-H2O]+	205.043560	140.5
[M+HCOO]-	267.044501	162.5
[M+CH3COO]-	281.060151	183.0
[M+Na-2H]-	243.020966	147.0
[M]+	222.04575142	147.0
[M]-	222.04684858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe