CID 53521

5-(m-bromobenzyl)-3-methylhydantoin

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂O₂

SMILES

CN1C(=O)C(NC1=O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C11H11BrN2O2/c1-14-10(15)9(13-11(14)16)6-7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3,(H,13,16)

InChIKey

XTYKDPQNBIPJHB-UHFFFAOYSA-N

Compound name

5-[(3-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 282.0004 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]+	283.007676	154.1
[M+Na]+	304.989618	166.5
[M-H]-	280.993124	160.1
[M+NH4]+	300.034223	172.7
[M+K]+	320.963558	154.3
[M+H-H2O]+	264.997660	153.3
[M+HCOO]-	326.998601	171.9
[M+CH3COO]-	341.014251	193.2
[M+Na-2H]-	302.975066	157.1
[M]+	281.99985142	171.1
[M]-	282.00094858	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe