CID 3044975

57961-97-4

Structural Information

Molecular Formula

C₁₆H₂₁N₃

SMILES

CN1CCN(CC1)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H21N3/c1-18-10-12-19(13-11-18)9-8-15-7-6-14-4-2-3-5-16(14)17-15/h2-7H,8-13H2,1H3

InChIKey

HCLRRXBUWSFJGE-UHFFFAOYSA-N

Compound name

2-[2-(4-methylpiperazin-1-yl)ethyl]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 255.17355 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]+	256.18083	162.9
[M+Na]+	278.16277	177.8
[M+NH4]+	273.20737	171.8
[M+K]+	294.13671	168.6
[M-H]-	254.16627	167.1
[M+Na-2H]-	276.14822	170.9
[M]+	255.17300	166.3
[M]-	255.17410	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe