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 201.1
[M+Na]+ 436.17956 207.0
[M-H]- 412.18306 207.4
[M+NH4]+ 431.22416 208.1
[M+K]+ 452.15350 197.5
[M+H-H2O]+ 396.18760 187.4
[M+HCOO]- 458.18854 213.9
[M+CH3COO]- 472.20419 207.9
[M+Na-2H]- 434.16501 200.0
[M]+ 413.18979 195.7
[M]- 413.19089 195.7
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.