CID 114099

63717-14-6

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

COC1=CC(=C2C(=C1)C=CC=N2)NCCCN

InChI

InChI=1S/C13H17N3O/c1-17-11-8-10-4-2-6-16-13(10)12(9-11)15-7-3-5-14/h2,4,6,8-9,15H,3,5,7,14H2,1H3

InChIKey

HXYREIXFCQCQAD-UHFFFAOYSA-N

Compound name

N'-(6-methoxyquinolin-8-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.13716 Da
Monoisotopic Mass: 2.0
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]+	232.14444	151.3
[M+Na]+	254.12638	158.5
[M-H]-	230.12988	153.9
[M+NH4]+	249.17098	168.4
[M+K]+	270.10032	154.8
[M+H-H2O]+	214.13442	143.4
[M+HCOO]-	276.13536	174.8
[M+CH3COO]-	290.15101	197.0
[M+Na-2H]-	252.11183	159.1
[M]+	231.13661	151.7
[M]-	231.13771	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe