CID 16126524

937184-70-8

Structural Information

Molecular Formula

C₁₈H₁₇NO₂

SMILES

CC1=CC(=NC2=CC=CC=C12)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17NO2/c1-13-11-18(19-17-6-4-3-5-16(13)17)21-12-14-7-9-15(20-2)10-8-14/h3-11H,12H2,1-2H3

InChIKey

NZVDQMQUHTVZAH-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methoxy]-4-methylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 279.12592 Da
Monoisotopic Mass: 4.3
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]+	280.13320	165.0
[M+Na]+	302.11514	182.2
[M+NH4]+	297.15974	174.4
[M+K]+	318.08908	172.7
[M-H]-	278.11864	170.6
[M+Na-2H]-	300.10059	175.1
[M]+	279.12537	169.3
[M]-	279.12647	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe