CID 9609956

477733-50-9

Structural Information

Molecular Formula

C₁₈H₂₀ClN₃O

SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)C3CCCCC3)Cl

InChI

InChI=1S/C18H20ClN3O/c1-12-7-8-14-10-15(17(19)21-16(14)9-12)11-20-22-18(23)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,22,23)/b20-11+

InChIKey

PJDDYGTUTNRORA-RGVLZGJSSA-N

Compound name

N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]cyclohexanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.1295 Da
Monoisotopic Mass: 4.8
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]+	330.136776	177.5
[M+Na]+	352.118718	183.2
[M-H]-	328.122224	183.7
[M+NH4]+	347.163323	191.7
[M+K]+	368.092658	177.1
[M+H-H2O]+	312.126760	168.4
[M+HCOO]-	374.127701	193.1
[M+CH3COO]-	388.143351	214.8
[M+Na-2H]-	350.104166	181.0
[M]+	329.12895142	176.0
[M]-	329.13004858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.