CID 20839589

Ns00089299

Structural Information

Molecular Formula

C₂₆H₂₇ClN₂

SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC=CC=C3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2/c27-25-14-12-23(13-15-25)26-11-5-4-10-24(26)21-29-19-17-28(18-20-29)16-6-9-22-7-2-1-3-8-22/h1-15H,16-21H2/b9-6+

InChIKey

RFGMKMSMXQHURV-RMKNXTFCSA-N

Compound name

1-[[2-(4-chlorophenyl)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 402.18628 Da
Monoisotopic Mass: 6.0
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]+	403.193556	202.1
[M+Na]+	425.175498	206.6
[M-H]-	401.179004	209.5
[M+NH4]+	420.220103	209.7
[M+K]+	441.149438	196.6
[M+H-H2O]+	385.183540	188.8
[M+HCOO]-	447.184481	213.0
[M+CH3COO]-	461.200131	209.0
[M+Na-2H]-	423.160946	202.3
[M]+	402.18573142	198.8
[M]-	402.18682858	198.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.