CID 32593

Lenperone

Structural Information

Molecular Formula

C₂₂H₂₃F₂NO₂

SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18H,1-2,11-15H2

InChIKey

WCIBOXFOUGQLFC-UHFFFAOYSA-N

Compound name

4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 754
Patents: 371.16968 Da
Monoisotopic Mass: 4.0
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]+	372.17696	189.3
[M+Na]+	394.15890	193.2
[M-H]-	370.16240	193.5
[M+NH4]+	389.20350	199.0
[M+K]+	410.13284	187.2
[M+H-H2O]+	354.16694	176.9
[M+HCOO]-	416.16788	203.1
[M+CH3COO]-	430.18353	218.4
[M+Na-2H]-	392.14435	186.6
[M]+	371.16913	183.8
[M]-	371.17023	183.8

Literature stripe

literature stripe

Patent stripe

patents stripe