CID 495221

6-bromo-3-[5-(6-bromo-1h-indol-3-yl)piperazin-2-yl]-1h-indole

Structural Information

Molecular Formula
C20H18Br2N4
SMILES
C1C(NCC(N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br
InChI
InChI=1S/C20H18Br2N4/c21-11-1-3-13-15(7-23-17(13)5-11)19-9-26-20(10-25-19)16-8-24-18-6-12(22)2-4-14(16)18/h1-8,19-20,23-26H,9-10H2
InChIKey
MWNHJASCQSIGAO-UHFFFAOYSA-N
Compound name
6-bromo-3-[5-(6-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

471.9898 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.99708 184.5
[M+Na]+ 494.97902 194.2
[M-H]- 470.98252 190.3
[M+NH4]+ 490.02362 196.3
[M+K]+ 510.95296 177.3
[M+H-H2O]+ 454.98706 192.5
[M+HCOO]- 516.98800 192.0
[M+CH3COO]- 531.00365 193.9
[M+Na-2H]- 492.96447 186.2
[M]+ 471.98925 213.3
[M]- 471.99035 213.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe