CID 3043097

55037-77-9

Structural Information

Molecular Formula

C₂₂H₂₇ClN₂

SMILES

C1CCC2=C(CC1)C=C(C=C2)CN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H27ClN2/c23-21-7-4-8-22(16-21)25-13-11-24(12-14-25)17-18-9-10-19-5-2-1-3-6-20(19)15-18/h4,7-10,15-16H,1-3,5-6,11-14,17H2

InChIKey

JYFSMUSOBKWXOL-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.18628 Da
Monoisotopic Mass: 5.9
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]+	355.193556	187.7
[M+Na]+	377.175498	191.9
[M-H]-	353.179004	193.9
[M+NH4]+	372.220103	198.3
[M+K]+	393.149438	188.0
[M+H-H2O]+	337.183540	176.6
[M+HCOO]-	399.184481	195.9
[M+CH3COO]-	413.200131	195.0
[M+Na-2H]-	375.160946	188.4
[M]+	354.18573142	179.8
[M]-	354.18682858	179.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.