CID 128329

N-(4-methylphenyl)diphenimide

Structural Information

Molecular Formula

C₂₁H₁₅NO₂

SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O

InChI

InChI=1S/C21H15NO2/c1-14-10-12-15(13-11-14)22-20(23)18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(22)24/h2-13H,1H3

InChIKey

GPVHMPAAIHEJBD-UHFFFAOYSA-N

Compound name

6-(4-methylphenyl)benzo[d][2]benzazepine-5,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 313.1103 Da
Monoisotopic Mass: 4.4
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]+	314.117576	174.1
[M+Na]+	336.099518	185.4
[M-H]-	312.103024	183.7
[M+NH4]+	331.144123	189.1
[M+K]+	352.073458	183.3
[M+H-H2O]+	296.107560	167.1
[M+HCOO]-	358.108501	195.7
[M+CH3COO]-	372.124151	186.4
[M+Na-2H]-	334.084966	181.1
[M]+	313.10975142	175.1
[M]-	313.11084858	175.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.