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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11758 174.1
[M+Na]+ 336.09952 185.4
[M-H]- 312.10302 183.7
[M+NH4]+ 331.14412 189.1
[M+K]+ 352.07346 183.3
[M+H-H2O]+ 296.10756 167.1
[M+HCOO]- 358.10850 195.7
[M+CH3COO]- 372.12415 186.4
[M+Na-2H]- 334.08497 181.1
[M]+ 313.10975 175.1
[M]- 313.11085 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.