CID 2792660

1-phenyl-3-(phenylamino)pyrrolidine-2,5-dione

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c19-15-11-14(17-12-7-3-1-4-8-12)16(20)18(15)13-9-5-2-6-10-13/h1-10,14,17H,11H2

InChIKey

XPRGFWCOARUGAL-UHFFFAOYSA-N

Compound name

3-anilino-1-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 368
Patents: 266.10553 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]+	267.11281	161.7
[M+Na]+	289.09475	175.1
[M+NH4]+	284.13935	169.8
[M+K]+	305.06869	169.3
[M-H]-	265.09825	167.3
[M+Na-2H]-	287.08020	170.8
[M]+	266.10498	165.1
[M]-	266.10608	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe