CID 3071283

87602-61-7

Structural Information

Molecular Formula

C₁₇H₂₂N₂O

SMILES

CC1CCCCN1C2=C3C=CC=C(C3=NC(=C2)C)OC

InChI

InChI=1S/C17H22N2O/c1-12-11-15(19-10-5-4-7-13(19)2)14-8-6-9-16(20-3)17(14)18-12/h6,8-9,11,13H,4-5,7,10H2,1-3H3

InChIKey

DZGJREHUZIXVDD-UHFFFAOYSA-N

Compound name

8-methoxy-2-methyl-4-(2-methylpiperidin-1-yl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.17322 Da
Monoisotopic Mass: 4.0
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]+	271.180496	166.1
[M+Na]+	293.162438	173.4
[M-H]-	269.165944	170.4
[M+NH4]+	288.207043	181.0
[M+K]+	309.136378	168.7
[M+H-H2O]+	253.170480	156.5
[M+HCOO]-	315.171421	182.3
[M+CH3COO]-	329.187071	176.7
[M+Na-2H]-	291.147886	169.6
[M]+	270.17267142	164.5
[M]-	270.17376858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.