CID 24228

7576-65-0

Structural Information

Molecular Formula
C18H11NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H
InChIKey
FDTLQXNAPKJJAM-UHFFFAOYSA-N
Compound name
2-(3-hydroxyquinolin-2-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2886
Patents

289.07388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08116 165.0
[M+Na]+ 312.06310 181.0
[M+NH4]+ 307.10770 173.9
[M+K]+ 328.03704 174.7
[M-H]- 288.06660 169.3
[M+Na-2H]- 310.04855 172.0
[M]+ 289.07333 168.6
[M]- 289.07443 168.6
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