CID 30821

Acetanilide, n-(1-methyl-3-pyrrolidinyl)-2-phenoxy-, oxalate (1:1)

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₂

SMILES

CN1CCC(C1)N(C2=CC=CC=C2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2/c1-20-13-12-17(14-20)21(16-8-4-2-5-9-16)19(22)15-23-18-10-6-3-7-11-18/h2-11,17H,12-15H2,1H3

InChIKey

KMIFKUFOPKKDHI-UHFFFAOYSA-N

Compound name

N-(1-methylpyrrolidin-3-yl)-2-phenoxy-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.16812 Da
Monoisotopic Mass: 3.2
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]+	311.175396	174.1
[M+Na]+	333.157338	177.6
[M-H]-	309.160844	183.0
[M+NH4]+	328.201943	188.5
[M+K]+	349.131278	174.8
[M+H-H2O]+	293.165380	164.1
[M+HCOO]-	355.166321	195.9
[M+CH3COO]-	369.181971	208.8
[M+Na-2H]-	331.142786	175.1
[M]+	310.16757142	173.0
[M]-	310.16866858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.