CID 87299

17772-51-9

Structural Information

Molecular Formula

C₁₈H₁₁NO₃

SMILES

C1=CC=C2C(=C1)C=C(C(=N2)C3=C(C4=CC=CC=C4C3=O)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/h1-9,20-21H

InChIKey

FZEHABHMMOXCEI-UHFFFAOYSA-N

Compound name

3-hydroxy-2-(3-hydroxyquinolin-2-yl)inden-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 50
Patents: 289.07388 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	290.081156	164.2
[M+Na]+	312.063098	175.4
[M-H]-	288.066604	170.3
[M+NH4]+	307.107703	181.3
[M+K]+	328.037038	168.9
[M+H-H2O]+	272.071140	156.9
[M+HCOO]-	334.072081	183.9
[M+CH3COO]-	348.087731	176.5
[M+Na-2H]-	310.048546	169.0
[M]+	289.07333142	165.4
[M]-	289.07442858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe