CID 506459

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

Structural Information

Molecular Formula
C28H22ClN3O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC=CC=C5Cl
InChI
InChI=1S/C28H22ClN3O4/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
KGYJIMWBLPMBBD-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-(2-chlorobenzoyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.12988 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.13716 216.4
[M+Na]+ 522.11910 221.5
[M-H]- 498.12260 225.4
[M+NH4]+ 517.16370 220.8
[M+K]+ 538.09304 214.6
[M+H-H2O]+ 482.12714 203.8
[M+HCOO]- 544.12808 224.5
[M+CH3COO]- 558.14373 222.6
[M+Na-2H]- 520.10455 212.5
[M]+ 499.12933 217.0
[M]- 499.13043 217.0
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.