CID 205884

Piperazine, 1-phenethyl-4-propionyl-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₂N₂O

SMILES

CCC(=O)N1CCN(CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O/c1-2-15(18)17-12-10-16(11-13-17)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3

InChIKey

GQIQWWOLVIUVLV-UHFFFAOYSA-N

Compound name

1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 246.17322 Da
Monoisotopic Mass: 2.0
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]+	247.180496	160.5
[M+Na]+	269.162438	164.5
[M-H]-	245.165944	163.0
[M+NH4]+	264.207043	174.6
[M+K]+	285.136378	161.1
[M+H-H2O]+	229.170480	151.1
[M+HCOO]-	291.171421	176.9
[M+CH3COO]-	305.187071	193.9
[M+Na-2H]-	267.147886	163.1
[M]+	246.17267142	157.0
[M]-	246.17376858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe