CID 6448142

82387-56-2

Structural Information

Molecular Formula

C₂₄H₂₉N₃O₂

SMILES

CCC(=O)N(CC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-2-23(28)27(22-13-7-4-8-14-22)20-24(29)26-18-16-25(17-19-26)15-9-12-21-10-5-3-6-11-21/h3-14H,2,15-20H2,1H3/b12-9+

InChIKey

HWPLUUUOPDMORS-FMIVXFBMSA-N

Compound name

N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 391.22598 Da
Monoisotopic Mass: 3.2
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]+	392.233256	198.1
[M+Na]+	414.215198	198.8
[M-H]-	390.218704	204.0
[M+NH4]+	409.259803	205.5
[M+K]+	430.189138	193.9
[M+H-H2O]+	374.223240	185.7
[M+HCOO]-	436.224181	213.8
[M+CH3COO]-	450.239831	224.9
[M+Na-2H]-	412.200646	197.3
[M]+	391.22543142	194.7
[M]-	391.22652858	194.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.