CID 11367798

8-azatricyclo[9.4.0.0,2,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one

Structural Information

Molecular Formula
C14H11NO
SMILES
C1C2=CC=CC=C2C3=CC=CC=C3NC1=O
InChI
InChI=1S/C14H11NO/c16-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15-14/h1-8H,9H2,(H,15,16)
InChIKey
XENVIBFIIPSBJW-UHFFFAOYSA-N
Compound name
5,7-dihydrobenzo[d][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

157
Patents

209.08406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 142.5
[M+Na]+ 232.07328 150.3
[M-H]- 208.07678 146.8
[M+NH4]+ 227.11788 160.6
[M+K]+ 248.04722 149.0
[M+H-H2O]+ 192.08132 137.3
[M+HCOO]- 254.08226 161.0
[M+CH3COO]- 268.09791 154.7
[M+Na-2H]- 230.05873 151.2
[M]+ 209.08351 137.7
[M]- 209.08461 137.7
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