CID 506456

1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C28H23N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H23N3O4/c32-25(28(35)30-17-15-29(16-18-30)26(33)20-9-3-1-4-10-20)23-19-31(24-14-8-7-13-22(23)24)27(34)21-11-5-2-6-12-21/h1-14,19H,15-18H2
InChIKey
VMNGWJVONLROOD-UHFFFAOYSA-N
Compound name
1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.16885 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.17613 210.5
[M+Na]+ 488.15807 213.9
[M-H]- 464.16157 219.3
[M+NH4]+ 483.20267 215.0
[M+K]+ 504.13201 208.0
[M+H-H2O]+ 448.16611 197.6
[M+HCOO]- 510.16705 223.1
[M+CH3COO]- 524.18270 216.7
[M+Na-2H]- 486.14352 207.7
[M]+ 465.16830 208.0
[M]- 465.16940 208.0
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.