CID 118081

33474-61-2

Structural Information

Molecular Formula

C₂₂H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)C2C(N2N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C22H16N2O2/c25-21-17-13-7-8-14-18(17)22(26)24(21)23-19(15-9-3-1-4-10-15)20(23)16-11-5-2-6-12-16/h1-14,19-20H

InChIKey

AADFBKFELOITOB-UHFFFAOYSA-N

Compound name

2-(2,3-diphenylaziridin-1-yl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 340.1212 Da
Monoisotopic Mass: 4.0
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]+	341.128476	183.6
[M+Na]+	363.110418	194.7
[M-H]-	339.113924	195.1
[M+NH4]+	358.155023	192.1
[M+K]+	379.084358	187.0
[M+H-H2O]+	323.118460	173.7
[M+HCOO]-	385.119401	204.0
[M+CH3COO]-	399.135051	194.2
[M+Na-2H]-	361.095866	184.8
[M]+	340.12065142	185.7
[M]-	340.12174858	185.7

Literature stripe

literature stripe

Patent stripe

patents stripe