CID 135685335

477733-43-0

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂

SMILES

C1CCC(CC1)C(=O)N/N=C/C2=CC3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H19N3O2/c21-16-14(10-13-8-4-5-9-15(13)19-16)11-18-20-17(22)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,19,21)(H,20,22)/b18-11+

InChIKey

RIEKIBQXKLGBSY-WOJGMQOQSA-N

Compound name

N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]cyclohexanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.14774 Da
Monoisotopic Mass: 2.9
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]+	298.155016	166.7
[M+Na]+	320.136958	170.9
[M-H]-	296.140464	171.7
[M+NH4]+	315.181563	180.2
[M+K]+	336.110898	165.8
[M+H-H2O]+	280.145000	157.3
[M+HCOO]-	342.145941	186.2
[M+CH3COO]-	356.161591	206.2
[M+Na-2H]-	318.122406	171.9
[M]+	297.14719142	161.1
[M]-	297.14828858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.