CID 120202

Plasmocid

Structural Information

Molecular Formula

C₁₇H₂₅N₃O

SMILES

CCN(CC)CCCNC1=C2C(=CC(=C1)OC)C=CC=N2

InChI

InChI=1S/C17H25N3O/c1-4-20(5-2)11-7-10-18-16-13-15(21-3)12-14-8-6-9-19-17(14)16/h6,8-9,12-13,18H,4-5,7,10-11H2,1-3H3

InChIKey

WIPRQKODGRKUEW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 502
Patents: 287.19977 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]+	288.20705	170.1
[M+Na]+	310.18899	175.6
[M-H]-	286.19249	173.9
[M+NH4]+	305.23359	185.8
[M+K]+	326.16293	172.7
[M+H-H2O]+	270.19703	161.1
[M+HCOO]-	332.19797	193.3
[M+CH3COO]-	346.21362	213.0
[M+Na-2H]-	308.17444	176.0
[M]+	287.19922	174.1
[M]-	287.20032	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe