CID 11142718

Ec 616-149-5

Structural Information

Molecular Formula
C23H16N2O2
SMILES
C1C2=CC=CC=C2C(=NC3=CC=CC=C31)CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C23H16N2O2/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-21-17-9-3-1-7-15(17)13-16-8-2-6-12-20(16)24-21/h1-12H,13-14H2
InChIKey
QAVFEJRLIYLUBJ-UHFFFAOYSA-N
Compound name
2-(11H-benzo[c][1]benzazepin-6-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

352.1212 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12848 187.0
[M+Na]+ 375.11042 196.9
[M-H]- 351.11392 195.7
[M+NH4]+ 370.15502 201.3
[M+K]+ 391.08436 192.6
[M+H-H2O]+ 335.11846 178.7
[M+HCOO]- 397.11940 204.4
[M+CH3COO]- 411.13505 197.3
[M+Na-2H]- 373.09587 190.5
[M]+ 352.12065 185.9
[M]- 352.12175 185.9
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

patents stripe