CID 3016926

55021-63-1

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃S

SMILES

CC(=O)N1C(C(=O)N(C1=O)C2=CC=CC=C2)CCSC

InChI

InChI=1S/C14H16N2O3S/c1-10(17)15-12(8-9-20-2)13(18)16(14(15)19)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3

InChIKey

MRYWQGMOWDVQGJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 292.08817 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]+	293.095446	166.4
[M+Na]+	315.077388	175.3
[M-H]-	291.080894	171.0
[M+NH4]+	310.121993	182.0
[M+K]+	331.051328	171.3
[M+H-H2O]+	275.085430	159.1
[M+HCOO]-	337.086371	181.2
[M+CH3COO]-	351.102021	200.2
[M+Na-2H]-	313.062836	163.2
[M]+	292.08762142	170.0
[M]-	292.08871858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe