CID 206709

28478-50-4

Structural Information

Molecular Formula

C₁₆H₂₃ClN₂O₂

SMILES

CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)Cl)C)OC

InChI

InChI=1S/C16H23ClN2O2/c1-4-19-7-5-6-12(19)10-18-16(20)13-9-14(17)11(2)8-15(13)21-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)

InChIKey

FERUQSPCONSSAR-UHFFFAOYSA-N

Compound name

5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 310.1448 Da
Monoisotopic Mass: 3.0
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]+	311.152076	174.7
[M+Na]+	333.134018	181.8
[M-H]-	309.137524	179.8
[M+NH4]+	328.178623	190.9
[M+K]+	349.107958	177.0
[M+H-H2O]+	293.142060	167.5
[M+HCOO]-	355.143001	191.0
[M+CH3COO]-	369.158651	207.9
[M+Na-2H]-	331.119466	173.1
[M]+	310.14425142	177.2
[M]-	310.14534858	177.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe