CID 3057902

74247-11-3

Structural Information

Molecular Formula

C₁₇H₂₄N₂O₂

SMILES

CCN(CC)CCCN1C(=O)CC(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O2/c1-3-18(4-2)11-8-12-19-16(20)13-15(17(19)21)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3

InChIKey

CTKCSDYLLGSFQU-UHFFFAOYSA-N

Compound name

1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 288.18378 Da
Monoisotopic Mass: 2.0
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]+	289.191056	169.9
[M+Na]+	311.172998	175.5
[M-H]-	287.176504	176.1
[M+NH4]+	306.217603	186.4
[M+K]+	327.146938	172.6
[M+H-H2O]+	271.181040	161.4
[M+HCOO]-	333.181981	192.2
[M+CH3COO]-	347.197631	208.4
[M+Na-2H]-	309.158446	169.5
[M]+	288.18323142	171.6
[M]-	288.18432858	171.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.