CID 43359

Furmecyclox

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC

InChI

InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3

InChIKey

QTDRLOKFLJJHTG-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N-methoxy-2,5-dimethylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 10854
Patents: 251.15215 Da
Monoisotopic Mass: 3.1
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]+	252.15943	158.9
[M+Na]+	274.14137	168.4
[M+NH4]+	269.18597	166.6
[M+K]+	290.11531	165.5
[M-H]-	250.14487	163.5
[M+Na-2H]-	272.12682	163.2
[M]+	251.15160	161.3
[M]-	251.15270	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe