CID 2517694

851814-16-9

Structural Information

Molecular Formula

C₁₄H₂₁N₃O

SMILES

CCC1=CC=CC=C1NC(=O)CN2CCNCC2

InChI

InChI=1S/C14H21N3O/c1-2-12-5-3-4-6-13(12)16-14(18)11-17-9-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3,(H,16,18)

InChIKey

UPAZJBWZWGMLTL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 247.16846 Da
Monoisotopic Mass: 0.7
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	159.9
[M+Na]+	270.15768	163.1
[M-H]-	246.16118	161.1
[M+NH4]+	265.20228	172.9
[M+K]+	286.13162	158.9
[M+H-H2O]+	230.16572	150.7
[M+HCOO]-	292.16666	176.2
[M+CH3COO]-	306.18231	193.3
[M+Na-2H]-	268.14313	163.1
[M]+	247.16791	153.5
[M]-	247.16901	153.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.