CID 91203

Brn 0229419

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂S

SMILES

CSCCC1C(=O)N(C(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2S/c1-17-8-7-10-11(15)14(12(16)13-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)

InChIKey

LXZHUBYHRBZPFY-UHFFFAOYSA-N

Compound name

5-(2-methylsulfanylethyl)-3-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 250.0776 Da
Monoisotopic Mass: 1.7
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]+	251.084876	155.8
[M+Na]+	273.066818	164.5
[M-H]-	249.070324	158.9
[M+NH4]+	268.111423	172.3
[M+K]+	289.040758	159.6
[M+H-H2O]+	233.074860	148.7
[M+HCOO]-	295.075801	170.5
[M+CH3COO]-	309.091451	189.0
[M+Na-2H]-	271.052266	154.7
[M]+	250.07705142	156.4
[M]-	250.07814858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe