CID 475851

Chembl336441

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CCC1(C(=O)C2=CC=CN2C3=C(O1)C=CC=N3)C4=CC=CC(=C4)C
InChI
InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3
InChIKey
HIVYLOYDYNAIIV-UHFFFAOYSA-N
Compound name
8-ethyl-8-(3-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.13684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 176.2
[M+Na]+ 341.12606 186.1
[M-H]- 317.12956 184.6
[M+NH4]+ 336.17066 191.7
[M+K]+ 357.10000 184.2
[M+H-H2O]+ 301.13410 167.7
[M+HCOO]- 363.13504 194.0
[M+CH3COO]- 377.15069 187.5
[M+Na-2H]- 339.11151 180.9
[M]+ 318.13629 176.5
[M]- 318.13739 176.5
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.