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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00768 154.1
[M+Na]+ 304.98962 166.5
[M-H]- 280.99312 160.1
[M+NH4]+ 300.03422 172.7
[M+K]+ 320.96356 154.3
[M+H-H2O]+ 264.99766 153.3
[M+HCOO]- 326.99860 171.9
[M+CH3COO]- 341.01425 193.2
[M+Na-2H]- 302.97507 157.1
[M]+ 281.99985 171.1
[M]- 282.00095 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe