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]+ 466.176126 210.5
[M+Na]+ 488.158068 213.9
[M-H]- 464.161574 219.3
[M+NH4]+ 483.202673 215.0
[M+K]+ 504.132008 208.0
[M+H-H2O]+ 448.166110 197.6
[M+HCOO]- 510.167051 223.1
[M+CH3COO]- 524.182701 216.7
[M+Na-2H]- 486.143516 207.7
[M]+ 465.16830142 208.0
[M]- 465.16939858 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.