CID 32137

23904-72-5

Structural Information

Molecular Formula

C₂₆H₂₇ClN₂O

SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O/c1-20-7-13-24(14-8-20)28-15-17-29(18-16-28)26(30)19-25(21-5-3-2-4-6-21)22-9-11-23(27)12-10-22/h2-14,25H,15-19H2,1H3

InChIKey

RQVFYYPNDANMBP-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 418.18118 Da
Monoisotopic Mass: 5.7
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]+	419.188456	203.4
[M+Na]+	441.170398	207.1
[M-H]-	417.173904	211.2
[M+NH4]+	436.215003	210.2
[M+K]+	457.144338	198.9
[M+H-H2O]+	401.178440	190.6
[M+HCOO]-	463.179381	212.6
[M+CH3COO]-	477.195031	210.0
[M+Na-2H]-	439.155846	201.8
[M]+	418.18063142	200.5
[M]-	418.18172858	200.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.