CID 506453

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

Structural Information

Molecular Formula
C28H21Cl2N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H21Cl2N3O4/c29-20-9-5-18(6-10-20)26(35)31-13-15-32(16-14-31)28(37)25(34)23-17-33(24-4-2-1-3-22(23)24)27(36)19-7-11-21(30)12-8-19/h1-12,17H,13-16H2
InChIKey
CAHIETAQKIRFQG-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorobenzoyl)indol-3-yl]-2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.0909 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.09818 220.4
[M+Na]+ 556.08012 226.8
[M-H]- 532.08362 229.1
[M+NH4]+ 551.12472 224.5
[M+K]+ 572.05406 219.5
[M+H-H2O]+ 516.08816 208.3
[M+HCOO]- 578.08910 223.7
[M+CH3COO]- 592.10475 226.4
[M+Na-2H]- 554.06557 215.4
[M]+ 533.09035 223.3
[M]- 533.09145 223.3
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.