CID 506450

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

Structural Information

Molecular Formula
C28H21Br2N3O4
SMILES
C1CN(CCN1C(=O)C2=CC(=CC=C2)Br)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC(=CC=C5)Br
InChI
InChI=1S/C28H21Br2N3O4/c29-20-7-3-5-18(15-20)26(35)31-11-13-32(14-12-31)28(37)25(34)23-17-33(24-10-2-1-9-22(23)24)27(36)19-6-4-8-21(30)16-19/h1-10,15-17H,11-14H2
InChIKey
VRBVEYSVNMROLF-UHFFFAOYSA-N
Compound name
1-[1-(3-bromobenzoyl)indol-3-yl]-2-[4-(3-bromobenzoyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.98987 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.99715 213.2
[M+Na]+ 643.97909 218.5
[M-H]- 619.98259 223.7
[M+NH4]+ 639.02369 219.3
[M+K]+ 659.95303 205.5
[M+H-H2O]+ 603.98713 218.8
[M+HCOO]- 665.98807 220.5
[M+CH3COO]- 680.00372 220.6
[M+Na-2H]- 641.96454 211.0
[M]+ 620.98932 245.3
[M]- 620.99042 245.3
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.