CID 3062068

Ethanone, 1-(2-(4-fluorophenyl)-4-quinolinyl)-2-(4-piperidinyl)-

Structural Information

Molecular Formula
C22H21FN2O
SMILES
C1CNCCC1CC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H21FN2O/c23-17-7-5-16(6-8-17)21-14-19(18-3-1-2-4-20(18)25-21)22(26)13-15-9-11-24-12-10-15/h1-8,14-15,24H,9-13H2
InChIKey
KCKKBGXSYHKUFN-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

348.1638 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17108 184.5
[M+Na]+ 371.15302 189.3
[M-H]- 347.15652 188.3
[M+NH4]+ 366.19762 194.0
[M+K]+ 387.12696 181.3
[M+H-H2O]+ 331.16106 172.1
[M+HCOO]- 393.16200 196.7
[M+CH3COO]- 407.17765 191.9
[M+Na-2H]- 369.13847 186.2
[M]+ 348.16325 177.2
[M]- 348.16435 177.2
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

patents stripe