CID 2805

Cloperastine

Structural Information

Molecular Formula

C₂₀H₂₄ClNO

SMILES

C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2

InChIKey

FLNXBVJLPJNOSI-UHFFFAOYSA-N

Compound name

1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 56
References: 20621
Patents: 329.15463 Da
Monoisotopic Mass: 4.8
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]+	330.16191	179.2
[M+Na]+	352.14385	182.6
[M-H]-	328.14735	185.3
[M+NH4]+	347.18845	191.4
[M+K]+	368.11779	176.4
[M+H-H2O]+	312.15189	169.1
[M+HCOO]-	374.15283	191.7
[M+CH3COO]-	388.16848	187.9
[M+Na-2H]-	350.12930	180.9
[M]+	329.15408	177.1
[M]-	329.15518	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe