CID 467450

Chembl88836

Structural Information

Molecular Formula
C24H19NO2
SMILES
CCC1(C(=O)C2=CC=CN2C3=CC4=CC=CC=C4C=C3O1)C5=CC=CC=C5
InChI
InChI=1S/C24H19NO2/c1-2-24(19-11-4-3-5-12-19)23(26)20-13-8-14-25(20)21-15-17-9-6-7-10-18(17)16-22(21)27-24/h3-16H,2H2,1H3
InChIKey
SYSCETALAQDPEZ-UHFFFAOYSA-N
Compound name
8-ethyl-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

353.14157 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14885 187.8
[M+Na]+ 376.13079 198.5
[M-H]- 352.13429 198.5
[M+NH4]+ 371.17539 204.1
[M+K]+ 392.10473 195.0
[M+H-H2O]+ 336.13883 180.2
[M+HCOO]- 398.13977 206.5
[M+CH3COO]- 412.15542 199.1
[M+Na-2H]- 374.11624 193.5
[M]+ 353.14102 188.9
[M]- 353.14212 188.9
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

No patent data available for this compound.