CID 2608606

5294-61-1

Structural Information

Molecular Formula

C₁₄H₂₁N₃O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCNCC2

InChI

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

InChIKey

NJKRFQIWDJSYOK-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 128
Patents: 247.16846 Da
Monoisotopic Mass: 1.2
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	160.3
[M+Na]+	270.15768	164.5
[M-H]-	246.16118	162.0
[M+NH4]+	265.20228	173.7
[M+K]+	286.13162	160.3
[M+H-H2O]+	230.16572	151.4
[M+HCOO]-	292.16666	176.7
[M+CH3COO]-	306.18231	194.5
[M+Na-2H]-	268.14313	162.8
[M]+	247.16791	154.4
[M]-	247.16901	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe