CID 506460

1-(4-benzoylpiperazin-1-yl)-2-[1-(2-bromobenzoyl)indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C28H22BrN3O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC=CC=C5Br
InChI
InChI=1S/C28H22BrN3O4/c29-23-12-6-4-11-21(23)27(35)32-18-22(20-10-5-7-13-24(20)32)25(33)28(36)31-16-14-30(15-17-31)26(34)19-8-2-1-3-9-19/h1-13,18H,14-17H2
InChIKey
PZTPIXWVCWBULR-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-(2-bromobenzoyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.07935 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.08663 220.4
[M+Na]+ 566.06857 226.6
[M-H]- 542.07207 231.5
[M+NH4]+ 561.11317 226.5
[M+K]+ 582.04251 215.1
[M+H-H2O]+ 526.07661 215.8
[M+HCOO]- 588.07755 231.2
[M+CH3COO]- 602.09320 228.1
[M+Na-2H]- 564.05402 217.9
[M]+ 543.07880 236.8
[M]- 543.07990 236.8
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.