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]+ 448.158646 208.4
[M+Na]+ 470.140588 215.9
[M-H]- 446.144094 214.7
[M+NH4]+ 465.185193 215.2
[M+K]+ 486.114528 205.3
[M+H-H2O]+ 430.148630 194.8
[M+HCOO]- 492.149571 216.5
[M+CH3COO]- 506.165221 215.0
[M+Na-2H]- 468.126036 205.9
[M]+ 447.15082142 205.9
[M]- 447.15191858 205.9
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.