CID 3059063

Ethanone, 2-(4-(4-chlorophenyl)-1-piperazinyl)-1-(2-(4-fluorophenyl)-1h-indol-3-yl)-

Structural Information

Molecular Formula
C26H23ClFN3O
SMILES
C1CN(CCN1CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H23ClFN3O/c27-19-7-11-21(12-8-19)31-15-13-30(14-16-31)17-24(32)25-22-3-1-2-4-23(22)29-26(25)18-5-9-20(28)10-6-18/h1-12,29H,13-17H2
InChIKey
BUHVITCRJVZPDU-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.15137 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.15865 210.0
[M+Na]+ 470.14059 226.8
[M+NH4]+ 465.18519 217.3
[M+K]+ 486.11453 218.0
[M-H]- 446.14409 216.0
[M+Na-2H]- 468.12604 219.0
[M]+ 447.15082 214.5
[M]- 447.15192 214.5
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.