CID 73012381

Allo-1

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
CC1C(=O)N(C(=O)N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKey
GHAJNZREWTZYQJ-UHFFFAOYSA-N
Compound name
1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0822 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 172.4
[M+Na]+ 337.07142 182.6
[M-H]- 313.07492 179.9
[M+NH4]+ 332.11602 187.0
[M+K]+ 353.04536 175.9
[M+H-H2O]+ 297.07946 163.3
[M+HCOO]- 359.08040 188.3
[M+CH3COO]- 373.09605 184.0
[M+Na-2H]- 335.05687 172.2
[M]+ 314.08165 174.3
[M]- 314.08275 174.3
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

No patent data available for this compound.