CID 684003

Timtec1_004178

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₂

SMILES

C1CC(=O)N(C1=O)CNC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O2/c20-16-10-11-17(21)19(16)12-18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,18H,10-12H2

InChIKey

IKYNLLNHLJCLRD-UHFFFAOYSA-N

Compound name

1-[(4-phenylanilino)methyl]pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 280.1212 Da
Monoisotopic Mass: 2.5
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]+	281.128476	163.6
[M+Na]+	303.110418	170.4
[M-H]-	279.113924	172.1
[M+NH4]+	298.155023	179.2
[M+K]+	319.084358	165.4
[M+H-H2O]+	263.118460	154.5
[M+HCOO]-	325.119401	186.8
[M+CH3COO]-	339.135051	200.9
[M+Na-2H]-	301.095866	166.2
[M]+	280.12065142	161.5
[M]-	280.12174858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.