CID 135469194

Pyridinium, 4'-cyclohexylcarbonyl-2-formyl-1,1'-(oxydimethylene)di-, diiodide, 2-oxime

Structural Information

Molecular Formula

C₂₀H₂₅N₃O₃

SMILES

C1CCC(CC1)C(=O)C2=CC=[N+](C=C2)COC[N+]3=CC=CC=C3/C=N/O

InChI

InChI=1S/C20H24N3O3/c24-20(17-6-2-1-3-7-17)18-9-12-22(13-10-18)15-26-16-23-11-5-4-8-19(23)14-21-25/h4-5,8-14,17H,1-3,6-7,15-16H2/q+1/p+1

InChIKey

VDXGTBZXMLRUAU-UHFFFAOYSA-O

Compound name

cyclohexyl-[1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 355.1896 Da
Monoisotopic Mass: 3.5
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]+	356.196876	190.7
[M+Na]+	378.178818	192.7
[M-H]-	354.182324	196.4
[M+NH4]+	373.223423	198.3
[M+K]+	394.152758	177.2
[M+H-H2O]+	338.186860	184.1
[M+HCOO]-	400.187801	207.0
[M+CH3COO]-	414.203451	200.9
[M+Na-2H]-	376.164266	197.3
[M]+	355.18905142	185.2
[M]-	355.19014858	185.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.