CID 3062497

1-(3-chlorophenyl)-4-(2,3-dihydro-1h-inden-1-yl)piperazine

Structural Information

Molecular Formula

C₁₉H₂₁ClN₂

SMILES

C1CC2=CC=CC=C2C1N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H21ClN2/c20-16-5-3-6-17(14-16)21-10-12-22(13-11-21)19-9-8-15-4-1-2-7-18(15)19/h1-7,14,19H,8-13H2

InChIKey

PJCCZRQUKZYSCF-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.1393 Da
Monoisotopic Mass: 4.4
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]+	313.146576	175.9
[M+Na]+	335.128518	182.3
[M-H]-	311.132024	182.3
[M+NH4]+	330.173123	190.7
[M+K]+	351.102458	174.7
[M+H-H2O]+	295.136560	165.5
[M+HCOO]-	357.137501	187.2
[M+CH3COO]-	371.153151	185.4
[M+Na-2H]-	333.113966	176.3
[M]+	312.13875142	172.0
[M]-	312.13984858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.