CID 70836

5h-dibenzo[b,e]azepine-6,11-dione

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C14H9NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8H,(H,15,17)
InChIKey
USJALFVAJSYMSN-UHFFFAOYSA-N
Compound name
5H-benzo[c][1]benzazepine-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

129
Patents

223.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 144.1
[M+Na]+ 246.05254 154.9
[M-H]- 222.05604 149.6
[M+NH4]+ 241.09714 162.1
[M+K]+ 262.02648 153.8
[M+H-H2O]+ 206.06058 139.2
[M+HCOO]- 268.06152 165.6
[M+CH3COO]- 282.07717 157.5
[M+Na-2H]- 244.03799 154.0
[M]+ 223.06277 143.2
[M]- 223.06387 143.2
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