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
3
Annotation Hits

0
References

3433
Patents

289.07388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.081156 164.1
[M+Na]+ 312.063098 175.0
[M-H]- 288.066604 171.1
[M+NH4]+ 307.107703 181.7
[M+K]+ 328.037038 168.8
[M+H-H2O]+ 272.071140 156.5
[M+HCOO]- 334.072081 184.0
[M+CH3COO]- 348.087731 176.5
[M+Na-2H]- 310.048546 168.3
[M]+ 289.07333142 164.9
[M]- 289.07442858 164.9
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

patents stripe