CID 2753

Cilostamide

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₃

SMILES

CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3

InChI

InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)

InChIKey

UIAYVIIHMORPSJ-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 198
References: 4435
Patents: 342.19434 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]+	343.201616	181.4
[M+Na]+	365.183558	184.1
[M-H]-	341.187064	185.8
[M+NH4]+	360.228163	193.2
[M+K]+	381.157498	180.3
[M+H-H2O]+	325.191600	171.5
[M+HCOO]-	387.192541	197.6
[M+CH3COO]-	401.208191	214.4
[M+Na-2H]-	363.169006	183.2
[M]+	342.19379142	178.9
[M]-	342.19488858	178.9

Literature stripe

literature stripe

Patent stripe

patents stripe