CID 2792660

3-anilino-1-phenylsuccinimide

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: 300
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]+	267.112806	159.1
[M+Na]+	289.094748	166.3
[M-H]-	265.098254	167.8
[M+NH4]+	284.139353	175.3
[M+K]+	305.068688	161.6
[M+H-H2O]+	249.102790	150.3
[M+HCOO]-	311.103731	182.6
[M+CH3COO]-	325.119381	171.2
[M+Na-2H]-	287.080196	162.3
[M]+	266.10498142	156.6
[M]-	266.10607858	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe