CID 99150

35976-67-1

Structural Information

Molecular Formula

C₁₇H₂₁N₃O₂

SMILES

C1CCN(CC1)CCCNC2=CC(=O)C3=C(C2=O)C=CC=N3

InChI

InChI=1S/C17H21N3O2/c21-15-12-14(17(22)13-6-4-7-19-16(13)15)18-8-5-11-20-9-2-1-3-10-20/h4,6-7,12,18H,1-3,5,8-11H2

InChIKey

REFALBMIVDQKHY-UHFFFAOYSA-N

Compound name

6-(3-piperidin-1-ylpropylamino)quinoline-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 299.1634 Da
Monoisotopic Mass: 2.1
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]+	300.170676	170.7
[M+Na]+	322.152618	175.5
[M-H]-	298.156124	174.1
[M+NH4]+	317.197223	183.3
[M+K]+	338.126558	170.4
[M+H-H2O]+	282.160660	160.5
[M+HCOO]-	344.161601	187.1
[M+CH3COO]-	358.177251	206.4
[M+Na-2H]-	320.138066	174.7
[M]+	299.16285142	166.6
[M]-	299.16394858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe