CID 2737187

318280-95-4

Structural Information

Molecular Formula

C₁₃H₁₉N₃O

SMILES

CN(C1=CC=CC=C1)C(=O)CN2CCNCC2

InChI

InChI=1S/C13H19N3O/c1-15(12-5-3-2-4-6-12)13(17)11-16-9-7-14-8-10-16/h2-6,14H,7-11H2,1H3

InChIKey

IAZRIFOHJXNFPA-UHFFFAOYSA-N

Compound name

N-methyl-N-phenyl-2-piperazin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 233.15282 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]+	234.16010	155.5
[M+Na]+	256.14204	166.0
[M+NH4]+	251.18664	162.8
[M+K]+	272.11598	160.0
[M-H]-	232.14554	158.4
[M+Na-2H]-	254.12749	162.2
[M]+	233.15227	157.4
[M]-	233.15337	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe