CID 6158471

Brn 0889289

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)Cl)/NC2=O
InChI
InChI=1S/C16H11ClN2O2/c17-12-6-4-5-11(9-12)10-14-15(20)19(16(21)18-14)13-7-2-1-3-8-13/h1-10H,(H,18,21)/b14-10-
InChIKey
AWJXHOSDBIIRKH-UVTDQMKNSA-N
Compound name
(5Z)-5-[(3-chlorophenyl)methylidene]-3-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0509 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05818 167.8
[M+Na]+ 321.04012 177.5
[M-H]- 297.04362 173.8
[M+NH4]+ 316.08472 182.0
[M+K]+ 337.01406 169.5
[M+H-H2O]+ 281.04816 159.1
[M+HCOO]- 343.04910 182.8
[M+CH3COO]- 357.06475 178.8
[M+Na-2H]- 319.02557 168.3
[M]+ 298.05035 166.3
[M]- 298.05145 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.