CID 65613

Clibucaine

Structural Information

Molecular Formula

C₁₅H₂₀Cl₂N₂O

SMILES

CC(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)N2CCCCC2

InChI

InChI=1S/C15H20Cl2N2O/c1-11(19-7-3-2-4-8-19)9-15(20)18-14-6-5-12(16)10-13(14)17/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)

InChIKey

GDDYCOSWVJRUHM-UHFFFAOYSA-N

Compound name

N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 278
Patents: 314.09528 Da
Monoisotopic Mass: 3.4
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]+	315.10256	171.5
[M+Na]+	337.08450	176.5
[M-H]-	313.08800	174.9
[M+NH4]+	332.12910	185.5
[M+K]+	353.05844	170.7
[M+H-H2O]+	297.09254	164.4
[M+HCOO]-	359.09348	179.8
[M+CH3COO]-	373.10913	206.1
[M+Na-2H]-	335.06995	171.4
[M]+	314.09473	170.1
[M]-	314.09583	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe