CID 22636341

348133-74-4

Structural Information

Molecular Formula

C₁₄H₁₇N₃

SMILES

CC1=CC2=CC=CC=C2N=C1N3CCNCC3

InChI

InChI=1S/C14H17N3/c1-11-10-12-4-2-3-5-13(12)16-14(11)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3

InChIKey

YUKANULGPVFVJO-UHFFFAOYSA-N

Compound name

3-methyl-2-piperazin-1-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 227.14224 Da
Monoisotopic Mass: 2.4
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]+	228.14952	154.3
[M+Na]+	250.13146	169.0
[M+NH4]+	245.17606	163.2
[M+K]+	266.10540	160.6
[M-H]-	226.13496	158.0
[M+Na-2H]-	248.11691	162.2
[M]+	227.14169	157.5
[M]-	227.14279	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe