CID 3052203

F 1541

Structural Information

Molecular Formula

C₁₆H₂₃ClN₂O₂

SMILES

CC(C)(C(=O)NCCN1CCCC1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H23ClN2O2/c1-16(2,21-14-7-5-13(17)6-8-14)15(20)18-9-12-19-10-3-4-11-19/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)

InChIKey

WWVRXZZKNGHASW-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	175.1
[M+Na]+	333.134018	179.8
[M-H]-	309.137524	179.5
[M+NH4]+	328.178623	190.5
[M+K]+	349.107958	175.5
[M+H-H2O]+	293.142060	167.6
[M+HCOO]-	355.143001	189.8
[M+CH3COO]-	369.158651	204.7
[M+Na-2H]-	331.119466	176.5
[M]+	310.14425142	176.0
[M]-	310.14534858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe