CID 211739

Dtxsid80946311

Structural Information

Molecular Formula

C₁₉H₂₈N₂O₃

SMILES

CCCC1(CC(=O)N(C1=O)CCCN(C)CCO)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3/c1-3-10-19(16-8-5-4-6-9-16)15-17(23)21(18(19)24)12-7-11-20(2)13-14-22/h4-6,8-9,22H,3,7,10-15H2,1-2H3

InChIKey

RKGNVPRMLQNKSR-UHFFFAOYSA-N

Compound name

1-[3-[2-hydroxyethyl(methyl)amino]propyl]-3-phenyl-3-propylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.21 Da
Monoisotopic Mass: 1.8
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]+	333.217276	180.2
[M+Na]+	355.199218	185.3
[M-H]-	331.202724	184.9
[M+NH4]+	350.243823	196.2
[M+K]+	371.173158	182.0
[M+H-H2O]+	315.207260	172.4
[M+HCOO]-	377.208201	200.5
[M+CH3COO]-	391.223851	213.5
[M+Na-2H]-	353.184666	179.9
[M]+	332.20945142	182.5
[M]-	332.21054858	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.