CID 3024724

Fc 194

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

CCC(=O)N(C1=CC=CC=C1)C(C)C(=O)N2CCCC2

InChI

InChI=1S/C16H22N2O2/c1-3-15(19)18(14-9-5-4-6-10-14)13(2)16(20)17-11-7-8-12-17/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3

InChIKey

ATCOBBKSXIUUSI-UHFFFAOYSA-N

Compound name

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.16812 Da
Monoisotopic Mass: 2.2
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]+	275.175396	167.5
[M+Na]+	297.157338	170.0
[M-H]-	273.160844	173.1
[M+NH4]+	292.201943	183.5
[M+K]+	313.131278	168.9
[M+H-H2O]+	257.165380	158.9
[M+HCOO]-	319.166321	187.1
[M+CH3COO]-	333.181971	203.2
[M+Na-2H]-	295.142786	166.1
[M]+	274.16757142	165.6
[M]-	274.16866858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe