CID 11778231

N1-(2-methoxyphenyl)-n4-hexylpiperazine

Structural Information

Molecular Formula

C₁₇H₂₈N₂O

SMILES

CCCCCCN1CCN(CC1)C2=CC=CC=C2OC

InChI

InChI=1S/C17H28N2O/c1-3-4-5-8-11-18-12-14-19(15-13-18)16-9-6-7-10-17(16)20-2/h6-7,9-10H,3-5,8,11-15H2,1-2H3

InChIKey

QLLNEODTUOCQKR-UHFFFAOYSA-N

Compound name

1-hexyl-4-(2-methoxyphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 276.22015 Da
Monoisotopic Mass: 4.2
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]+	277.22743	170.6
[M+Na]+	299.20937	183.0
[M+NH4]+	294.25397	178.4
[M+K]+	315.18331	174.5
[M-H]-	275.21287	173.9
[M+Na-2H]-	297.19482	177.0
[M]+	276.21960	173.3
[M]-	276.22070	173.3

Literature stripe

literature stripe

Patent stripe

patents stripe