CID 23118290

1-[4-(1h-imidazol-1-yl)phenyl]piperazine

Structural Information

Molecular Formula

C₁₃H₁₆N₄

SMILES

C1CN(CCN1)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C13H16N4/c1-3-13(17-10-7-15-11-17)4-2-12(1)16-8-5-14-6-9-16/h1-4,7,10-11,14H,5-6,8-9H2

InChIKey

SLUFTOXKPFMTNC-UHFFFAOYSA-N

Compound name

1-(4-imidazol-1-ylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 228.1375 Da
Monoisotopic Mass: 1.1
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]+	229.144776	152.9
[M+Na]+	251.126718	158.6
[M-H]-	227.130224	155.0
[M+NH4]+	246.171323	165.6
[M+K]+	267.100658	153.3
[M+H-H2O]+	211.134760	141.8
[M+HCOO]-	273.135701	168.5
[M+CH3COO]-	287.151351	162.6
[M+Na-2H]-	249.112166	156.6
[M]+	228.13695142	146.0
[M]-	228.13804858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe