CID 171187

52669-92-8

Structural Information

Molecular Formula

C₂₁H₂₁ClFNO

SMILES

C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2

InChIKey

ZNOLNAPJKOYTHY-UHFFFAOYSA-N

Compound name

4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 353
Patents: 357.12958 Da
Monoisotopic Mass: 4.5
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]+	358.136856	184.6
[M+Na]+	380.118798	190.9
[M-H]-	356.122304	190.3
[M+NH4]+	375.163403	196.2
[M+K]+	396.092738	183.1
[M+H-H2O]+	340.126840	173.8
[M+HCOO]-	402.127781	197.2
[M+CH3COO]-	416.143431	213.8
[M+Na-2H]-	378.104246	184.7
[M]+	357.12903142	183.4
[M]-	357.13012858	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe