CID 5011

Quipazine

Structural Information

Molecular Formula

C₁₃H₁₅N₃

SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2

InChIKey

XRXDAJYKGWNHTQ-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylquinoline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 714
References: 1805
Patents: 213.1266 Da
Monoisotopic Mass: 1.5
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]+	214.133876	148.9
[M+Na]+	236.115818	154.8
[M-H]-	212.119324	149.9
[M+NH4]+	231.160423	163.1
[M+K]+	252.089758	149.3
[M+H-H2O]+	196.123860	139.0
[M+HCOO]-	258.124801	163.5
[M+CH3COO]-	272.140451	158.8
[M+Na-2H]-	234.101266	156.4
[M]+	213.12605142	142.0
[M]-	213.12714858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe