CID 86615

1-propionyl-4-cinnamylpiperazine

Structural Information

Molecular Formula

C₁₆H₂₂N₂O

SMILES

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

InChI

InChI=1S/C16H22N2O/c1-2-16(19)18-13-11-17(12-14-18)10-6-9-15-7-4-3-5-8-15/h3-9H,2,10-14H2,1H3

InChIKey

PXDGUZYTZGUSLZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 258.17322 Da
Monoisotopic Mass: 2.1
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]+	259.180496	164.0
[M+Na]+	281.162438	168.0
[M-H]-	257.165944	166.4
[M+NH4]+	276.207043	177.6
[M+K]+	297.136378	163.7
[M+H-H2O]+	241.170480	154.5
[M+HCOO]-	303.171421	180.3
[M+CH3COO]-	317.187071	195.4
[M+Na-2H]-	279.147886	166.1
[M]+	258.17267142	160.1
[M]-	258.17376858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe