CID 723252

9-phenyl-2h,3h-[1,4]dioxino[2,3-g]quinolin-7-ol

Structural Information

Molecular Formula
C17H13NO3
SMILES
C1COC2=C(O1)C=C3C(=CC(=O)NC3=C2)C4=CC=CC=C4
InChI
InChI=1S/C17H13NO3/c19-17-9-12(11-4-2-1-3-5-11)13-8-15-16(10-14(13)18-17)21-7-6-20-15/h1-5,8-10H,6-7H2,(H,18,19)
InChIKey
NQXLDZVBZLPYHK-UHFFFAOYSA-N
Compound name
9-phenyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

279.08954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 160.7
[M+Na]+ 302.07876 169.5
[M-H]- 278.08226 167.8
[M+NH4]+ 297.12336 173.6
[M+K]+ 318.05270 166.1
[M+H-H2O]+ 262.08680 151.5
[M+HCOO]- 324.08774 176.6
[M+CH3COO]- 338.10339 172.1
[M+Na-2H]- 300.06421 169.7
[M]+ 279.08899 159.9
[M]- 279.09009 159.9
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.