CID 408510

Nsc13713

Structural Information

Molecular Formula

C₁₈H₂₇N₃O₂

SMILES

CCN(CC)CCCNC1=CC(=C(C2=C1N=CC=C2)OC)OC

InChI

InChI=1S/C18H27N3O2/c1-5-21(6-2)12-8-11-19-15-13-16(22-3)18(23-4)14-9-7-10-20-17(14)15/h7,9-10,13,19H,5-6,8,11-12H2,1-4H3

InChIKey

NMKNIEMVRVRVPQ-UHFFFAOYSA-N

Compound name

N-(5,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 317.21033 Da
Monoisotopic Mass: 3.2
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]+	318.217606	178.1
[M+Na]+	340.199548	183.9
[M-H]-	316.203054	182.0
[M+NH4]+	335.244153	192.7
[M+K]+	356.173488	181.4
[M+H-H2O]+	300.207590	168.8
[M+HCOO]-	362.208531	201.0
[M+CH3COO]-	376.224181	219.2
[M+Na-2H]-	338.184996	182.7
[M]+	317.20978142	184.2
[M]-	317.21087858	184.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.