CID 203475

14549-61-2

Structural Information

Molecular Formula

C₁₅H₁₇N₃

SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C15H17N3/c1-2-4-14(5-3-1)17-10-12-18(13-11-17)15-6-8-16-9-7-15/h1-9H,10-13H2

InChIKey

HOUVRPYITOXIFB-UHFFFAOYSA-N

Compound name

1-phenyl-4-pyridin-4-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 239.14224 Da
Monoisotopic Mass: 2.6
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]+	240.14952	156.5
[M+Na]+	262.13146	161.8
[M-H]-	238.13496	160.8
[M+NH4]+	257.17606	168.8
[M+K]+	278.10540	156.6
[M+H-H2O]+	222.13950	145.1
[M+HCOO]-	284.14044	173.3
[M+CH3COO]-	298.15609	166.4
[M+Na-2H]-	260.11691	162.7
[M]+	239.14169	150.6
[M]-	239.14279	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe