CID 467447

Chembl314882

Structural Information

Molecular Formula
C22H15NO2
SMILES
C1=CC=C(C=C1)C2C(=O)C3=CC=CN3C4=CC5=CC=CC=C5C=C4O2
InChI
InChI=1S/C22H15NO2/c24-21-18-11-6-12-23(18)19-13-16-9-4-5-10-17(16)14-20(19)25-22(21)15-7-2-1-3-8-15/h1-14,22H
InChIKey
QKIVMUINKRSFES-UHFFFAOYSA-N
Compound name
8-phenyl-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,10,12,14,16-heptaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1103 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11758 177.0
[M+Na]+ 348.09952 187.5
[M-H]- 324.10302 187.8
[M+NH4]+ 343.14412 192.6
[M+K]+ 364.07346 184.9
[M+H-H2O]+ 308.10756 170.6
[M+HCOO]- 370.10850 196.4
[M+CH3COO]- 384.12415 188.9
[M+Na-2H]- 346.08497 183.2
[M]+ 325.10975 177.4
[M]- 325.11085 177.4
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.