CID 215369

35623-05-3

Structural Information

Molecular Formula

C₂₂H₂₆FNO

SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO/c23-21-10-8-20(9-11-21)22(25)7-4-14-24-15-12-19(13-16-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-17H2

InChIKey

IZNJLJHYICMJAT-UHFFFAOYSA-N

Compound name

4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 339.19983 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	340.20711	184.1
[M+Na]+	362.18905	187.2
[M-H]-	338.19255	189.2
[M+NH4]+	357.23365	195.1
[M+K]+	378.16299	181.0
[M+H-H2O]+	322.19709	172.5
[M+HCOO]-	384.19803	199.6
[M+CH3COO]-	398.21368	212.4
[M+Na-2H]-	360.17450	183.9
[M]+	339.19928	179.0
[M]-	339.20038	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe