CID 58616

Clodacaine

Structural Information

Molecular Formula

C₁₆H₂₆ClN₃O

SMILES

CCN(CC)CCN(CC)CC(=O)NC1=CC=CC=C1Cl

InChI

InChI=1S/C16H26ClN3O/c1-4-19(5-2)11-12-20(6-3)13-16(21)18-15-10-8-7-9-14(15)17/h7-10H,4-6,11-13H2,1-3H3,(H,18,21)

InChIKey

MLUILGIMZAVBDU-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-2-[2-(diethylamino)ethyl-ethylamino]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 311.17645 Da
Monoisotopic Mass: 2.5
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]+	312.183726	178.8
[M+Na]+	334.165668	182.7
[M-H]-	310.169174	184.0
[M+NH4]+	329.210273	194.7
[M+K]+	350.139608	180.1
[M+H-H2O]+	294.173710	171.1
[M+HCOO]-	356.174651	199.9
[M+CH3COO]-	370.190301	220.2
[M+Na-2H]-	332.151116	179.9
[M]+	311.17590142	184.0
[M]-	311.17699858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe