CID 2811746

Maybridge3_002255

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₂

SMILES

CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C18H22N2O2/c1-13-12-15(14(2)22-13)18(21)19-16-8-4-5-9-17(16)20-10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,19,21)

InChIKey

VCQYLMAIVAFLOZ-UHFFFAOYSA-N

Compound name

2,5-dimethyl-N-(2-piperidin-1-ylphenyl)furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 298.16812 Da
Monoisotopic Mass: 3.6
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]+	299.175396	171.9
[M+Na]+	321.157338	176.9
[M-H]-	297.160844	180.5
[M+NH4]+	316.201943	185.5
[M+K]+	337.131278	173.9
[M+H-H2O]+	281.165380	163.0
[M+HCOO]-	343.166321	191.2
[M+CH3COO]-	357.181971	205.4
[M+Na-2H]-	319.142786	172.4
[M]+	298.16757142	169.3
[M]-	298.16866858	169.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.