CID 699522

2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline-8,9-dione 9-(phenylhydrazone)

Structural Information

Molecular Formula
C18H19N3O
SMILES
C1CC2=CC(=C(C3=C2N(C1)CCC3)O)N=NC4=CC=CC=C4
InChI
InChI=1S/C18H19N3O/c22-18-15-9-5-11-21-10-4-6-13(17(15)21)12-16(18)20-19-14-7-2-1-3-8-14/h1-3,7-8,12,22H,4-6,9-11H2
InChIKey
VUDVSBCKIRWZDE-UHFFFAOYSA-N
Compound name
7-phenyldiazenyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.1528 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 165.2
[M+Na]+ 316.142018 170.3
[M-H]- 292.145524 171.7
[M+NH4]+ 311.186623 181.0
[M+K]+ 332.115958 165.5
[M+H-H2O]+ 276.150060 155.0
[M+HCOO]- 338.151001 184.5
[M+CH3COO]- 352.166651 175.5
[M+Na-2H]- 314.127466 173.2
[M]+ 293.15225142 161.9
[M]- 293.15334858 161.9
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.