CID 5059

101910-24-1

Structural Information

Molecular Formula

C₂₂H₂₅NO₂

SMILES

CCCCCC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3

InChIKey

JRLOEMCOOZSCQP-UHFFFAOYSA-N

Compound name

1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 92
References: 346
Patents: 335.18854 Da
Monoisotopic Mass: 5.2
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]+	336.19582	183.3
[M+Na]+	358.17776	188.5
[M-H]-	334.18126	187.1
[M+NH4]+	353.22236	195.5
[M+K]+	374.15170	182.7
[M+H-H2O]+	318.18580	173.5
[M+HCOO]-	380.18674	201.1
[M+CH3COO]-	394.20239	210.8
[M+Na-2H]-	356.16321	187.0
[M]+	335.18799	185.2
[M]-	335.18909	185.2

Literature stripe

literature stripe

Patent stripe

patents stripe