CID 205880

Piperazine, 1-(o-chlorobenzyl)-4-(phenylacetyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₁ClN₂O

SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O/c20-18-9-5-4-8-17(18)15-21-10-12-22(13-11-21)19(23)14-16-6-2-1-3-7-16/h1-9H,10-15H2

InChIKey

BGZPVILMNVKBNH-UHFFFAOYSA-N

Compound name

1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.13425 Da
Monoisotopic Mass: 3.3
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]+	329.141526	178.3
[M+Na]+	351.123468	183.5
[M-H]-	327.126974	183.6
[M+NH4]+	346.168073	189.5
[M+K]+	367.097408	176.7
[M+H-H2O]+	311.131510	167.6
[M+HCOO]-	373.132451	189.9
[M+CH3COO]-	387.148101	187.1
[M+Na-2H]-	349.108916	179.9
[M]+	328.13370142	176.0
[M]-	328.13479858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.