CID 3292

Ethotoin

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CCN1C(=O)C(NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)

InChIKey

SZQIFWWUIBRPBZ-UHFFFAOYSA-N

Compound name

3-ethyl-5-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 40
References: 7264
Patents: 204.08987 Da
Monoisotopic Mass: 1.0
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]+	205.097146	144.2
[M+Na]+	227.079088	152.8
[M-H]-	203.082594	147.2
[M+NH4]+	222.123693	161.8
[M+K]+	243.053028	149.0
[M+H-H2O]+	187.087130	136.7
[M+HCOO]-	249.088071	164.1
[M+CH3COO]-	263.103721	182.2
[M+Na-2H]-	225.064536	146.6
[M]+	204.08932142	141.9
[M]-	204.09041858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe