CID 459659

Oprea1_146524

Structural Information

Molecular Formula

C₁₈H₁₈N₂

SMILES

CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C18H18N2/c1-13-4-10-18-15(12-13)7-11-17(19-18)14-5-8-16(9-6-14)20(2)3/h4-12H,1-3H3

InChIKey

RWZFLILFUOBPIQ-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-(6-methylquinolin-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 262.147 Da
Monoisotopic Mass: 4.4
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]+	263.154276	161.7
[M+Na]+	285.136218	170.1
[M-H]-	261.139724	169.5
[M+NH4]+	280.180823	178.6
[M+K]+	301.110158	165.6
[M+H-H2O]+	245.144260	152.5
[M+HCOO]-	307.145201	184.7
[M+CH3COO]-	321.160851	174.2
[M+Na-2H]-	283.121666	168.3
[M]+	262.14645142	163.0
[M]-	262.14754858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe