CID 199284

Brn 0889080

Structural Information

Molecular Formula

C₁₇H₂₁N₃

SMILES

C1CN(CCN1CCC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3/c1-2-7-17(8-3-1)20-14-12-19(13-15-20)11-9-16-6-4-5-10-18-16/h1-8,10H,9,11-15H2

InChIKey

TUIDRUSFPFFFRQ-UHFFFAOYSA-N

Compound name

1-phenyl-4-(2-pyridin-2-ylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.17355 Da
Monoisotopic Mass: 2.8
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]+	268.18083	165.2
[M+Na]+	290.16277	169.6
[M-H]-	266.16627	169.1
[M+NH4]+	285.20737	176.4
[M+K]+	306.13671	164.0
[M+H-H2O]+	250.17081	153.4
[M+HCOO]-	312.17175	181.3
[M+CH3COO]-	326.18740	174.3
[M+Na-2H]-	288.14822	170.3
[M]+	267.17300	160.0
[M]-	267.17410	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe