CID 213197

Brn 0443658

Structural Information

Molecular Formula
C22H14N2O3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3NC2=O)N4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H14N2O3/c25-20-14-8-2-1-7-13(14)19(17-11-5-6-12-18(17)23-20)24-21(26)15-9-3-4-10-16(15)22(24)27/h1-12,19H,(H,23,25)
InChIKey
ZYMAQPHWFQBEGL-UHFFFAOYSA-N
Compound name
2-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.10043 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10771 185.9
[M+Na]+ 377.08965 195.7
[M-H]- 353.09315 193.6
[M+NH4]+ 372.13425 199.6
[M+K]+ 393.06359 191.6
[M+H-H2O]+ 337.09769 178.2
[M+HCOO]- 399.09863 201.2
[M+CH3COO]- 413.11428 195.8
[M+Na-2H]- 375.07510 188.3
[M]+ 354.09988 182.7
[M]- 354.10098 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.