CID 17040080

6-bromo-4-(piperazin-1-yl)quinoline

Structural Information

Molecular Formula

C₁₃H₁₄BrN₃

SMILES

C1CN(CCN1)C2=C3C=C(C=CC3=NC=C2)Br

InChI

InChI=1S/C13H14BrN3/c14-10-1-2-12-11(9-10)13(3-4-16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2

InChIKey

BBICIXDOMKPLKH-UHFFFAOYSA-N

Compound name

6-bromo-4-piperazin-1-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 291.0371 Da
Monoisotopic Mass: 2.3
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]+	292.04438	159.5
[M+Na]+	314.02632	164.4
[M+NH4]+	309.07092	164.6
[M+K]+	330.00026	162.6
[M-H]-	290.02982	161.4
[M+Na-2H]-	312.01177	163.9
[M]+	291.03655	159.6
[M]-	291.03765	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe