CID 3059062

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

Structural Information

Molecular Formula
C26H24FN3O
SMILES
C1CN(CCN1CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C26H24FN3O/c27-20-12-10-19(11-13-20)26-25(22-8-4-5-9-23(22)28-26)24(31)18-29-14-16-30(17-15-29)21-6-2-1-3-7-21/h1-13,28H,14-18H2
InChIKey
GQVFGKPSNHNLKZ-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.19034 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19762 203.6
[M+Na]+ 436.17956 219.2
[M+NH4]+ 431.22416 210.6
[M+K]+ 452.15350 211.2
[M-H]- 412.18306 209.5
[M+Na-2H]- 434.16501 212.9
[M]+ 413.18979 207.5
[M]- 413.19089 207.5
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.