CID 3069810

Brn 1472798

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

CCN(CC)CC(COC1=CC=CC2=C1N=CC=C2)O

InChI

InChI=1S/C16H22N2O2/c1-3-18(4-2)11-14(19)12-20-15-9-5-7-13-8-6-10-17-16(13)15/h5-10,14,19H,3-4,11-12H2,1-2H3

InChIKey

FCHUHYJBMDOTEP-UHFFFAOYSA-N

Compound name

1-(diethylamino)-3-quinolin-8-yloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.16812 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]+	275.175396	165.6
[M+Na]+	297.157338	170.6
[M-H]-	273.160844	167.9
[M+NH4]+	292.201943	181.0
[M+K]+	313.131278	168.2
[M+H-H2O]+	257.165380	157.2
[M+HCOO]-	319.166321	185.8
[M+CH3COO]-	333.181971	204.2
[M+Na-2H]-	295.142786	170.6
[M]+	274.16757142	168.5
[M]-	274.16866858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe