CID 3058951

Brn 0723087

Structural Information

Molecular Formula
C28H20ClN3O2
SMILES
C1=CC=C(C=C1)N=C(C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H20ClN3O2/c29-21-18-16-20(17-19-21)26(30-22-10-4-1-5-11-22)25-27(33)31(23-12-6-2-7-13-23)32(28(25)34)24-14-8-3-9-15-24/h1-19,25H
InChIKey
QXJUOYYQTZUTEF-UHFFFAOYSA-N
Compound name
4-[C-(4-chlorophenyl)-N-phenylcarbonimidoyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.1244 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.13168 214.9
[M+Na]+ 488.11362 221.8
[M-H]- 464.11712 228.6
[M+NH4]+ 483.15822 221.7
[M+K]+ 504.08756 212.9
[M+H-H2O]+ 448.12166 201.3
[M+HCOO]- 510.12260 230.6
[M+CH3COO]- 524.13825 222.9
[M+Na-2H]- 486.09907 212.9
[M]+ 465.12385 215.0
[M]- 465.12495 215.0
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.