CID 2777813

175203-79-9

Structural Information

Molecular Formula

C₁₄H₁₄F₃N₃

SMILES

C1CN(CCN1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C14H14F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h1-4,9,18H,5-8H2

InChIKey

VCJGCFMRAFRJNE-UHFFFAOYSA-N

Compound name

4-piperazin-1-yl-2-(trifluoromethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 72
Patents: 281.11398 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]+	282.12126	163.5
[M+Na]+	304.10320	173.7
[M+NH4]+	299.14780	169.0
[M+K]+	320.07714	167.5
[M-H]-	280.10670	161.6
[M+Na-2H]-	302.08865	168.4
[M]+	281.11343	164.1
[M]-	281.11453	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe