CID 184227

110545-79-4

Structural Information

Molecular Formula
C18H15ClN2O
SMILES
C1CCC2=C(C1)C(=O)C3=C(N2C4=CC(=CC=C4)Cl)N=CC=C3
InChI
InChI=1S/C18H15ClN2O/c19-12-5-3-6-13(11-12)21-16-9-2-1-7-14(16)17(22)15-8-4-10-20-18(15)21/h3-6,8,10-11H,1-2,7,9H2
InChIKey
SLPWZBSWUHLVRY-UHFFFAOYSA-N
Compound name
10-(3-chlorophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

126
Patents

310.08728 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09456 170.1
[M+Na]+ 333.07650 188.9
[M+NH4]+ 328.12110 180.4
[M+K]+ 349.05044 178.2
[M-H]- 309.08000 176.0
[M+Na-2H]- 331.06195 179.5
[M]+ 310.08673 175.1
[M]- 310.08783 175.1
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