CID 6435340

Brn 0891591

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)Cl)/NC2=O
InChI
InChI=1S/C17H13ClN2O2/c1-11-5-7-14(8-6-11)20-16(21)15(19-17(20)22)10-12-3-2-4-13(18)9-12/h2-10H,1H3,(H,19,22)/b15-10-
InChIKey
HHSBZCPDWVMVSA-GDNBJRDFSA-N
Compound name
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(4-methylphenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.06656 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 172.2
[M+Na]+ 335.05578 182.4
[M-H]- 311.05928 178.5
[M+NH4]+ 330.10038 186.3
[M+K]+ 351.02972 174.3
[M+H-H2O]+ 295.06382 163.7
[M+HCOO]- 357.06476 186.9
[M+CH3COO]- 371.08041 183.3
[M+Na-2H]- 333.04123 171.6
[M]+ 312.06601 171.6
[M]- 312.06711 171.6
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.