CID 2760430

685892-09-5

Structural Information

Molecular Formula

C₁₄H₂₁N₃O

SMILES

C1CN(CCN1)CC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C14H21N3O/c18-14(12-17-10-8-15-9-11-17)16-7-6-13-4-2-1-3-5-13/h1-5,15H,6-12H2,(H,16,18)

InChIKey

PMTDWOUIBYJPFJ-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)-2-piperazin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 247.16846 Da
Monoisotopic Mass: 0.9
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]+	248.17574	159.3
[M+Na]+	270.15768	161.5
[M-H]-	246.16118	160.1
[M+NH4]+	265.20228	171.9
[M+K]+	286.13162	157.3
[M+H-H2O]+	230.16572	149.8
[M+HCOO]-	292.16666	175.6
[M+CH3COO]-	306.18231	192.1
[M+Na-2H]-	268.14313	163.3
[M]+	247.16791	152.5
[M]-	247.16901	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe