CID 9948645

Jnj-16567083

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CCC1=C(N=C2C=CC(=CC2=C1)C(=O)C3CCC(CC3)OC)C

InChI

InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3

InChIKey

VEURHZYLLRSEGL-UHFFFAOYSA-N

Compound name

(3-ethyl-2-methylquinolin-6-yl)-(4-methoxycyclohexyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 52
Patents: 311.18854 Da
Monoisotopic Mass: 4.2
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]+	312.19582	176.1
[M+Na]+	334.17776	190.1
[M+NH4]+	329.22236	184.6
[M+K]+	350.15170	181.8
[M-H]-	310.18126	180.6
[M+Na-2H]-	332.16321	182.4
[M]+	311.18799	179.4
[M]-	311.18909	179.4

Literature stripe

literature stripe

Patent stripe

patents stripe