CID 86618

1-butyryl-4-cinnamylpiperazine

Structural Information

Molecular Formula

C₁₇H₂₄N₂O

SMILES

CCCC(=O)N1CCN(CC1)CC=CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O/c1-2-7-17(20)19-14-12-18(13-15-19)11-6-10-16-8-4-3-5-9-16/h3-6,8-10H,2,7,11-15H2,1H3

InChIKey

ZQBMUHABRSEAIK-UHFFFAOYSA-N

Compound name

1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 70
Patents: 272.18887 Da
Monoisotopic Mass: 2.5
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]+	273.19615	169.1
[M+Na]+	295.17809	180.9
[M+NH4]+	290.22269	176.2
[M+K]+	311.15203	172.8
[M-H]-	271.18159	171.6
[M+Na-2H]-	293.16354	175.1
[M]+	272.18832	171.3
[M]-	272.18942	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe