CID 166411

73287-55-5

Structural Information

Molecular Formula

C₂₃H₁₉BrN₂O₄

SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)C(C2=O)C3=NC4=CC=CC=C4C(=C3O)Br

InChI

InChI=1S/C23H19BrN2O4/c1-3-26(4-2)23(30)12-9-10-13-15(11-12)21(28)17(20(13)27)19-22(29)18(24)14-7-5-6-8-16(14)25-19/h5-11,17,29H,3-4H2,1-2H3

InChIKey

BUFKXMCKNWZUMN-UHFFFAOYSA-N

Compound name

2-(4-bromo-3-hydroxyquinolin-2-yl)-N,N-diethyl-1,3-dioxoindene-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 466.05283 Da
Monoisotopic Mass: 3.9
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]+	467.060106	204.3
[M+Na]+	489.042048	214.9
[M-H]-	465.045554	214.1
[M+NH4]+	484.086653	218.6
[M+K]+	505.015988	203.1
[M+H-H2O]+	449.050090	201.8
[M+HCOO]-	511.051031	220.4
[M+CH3COO]-	525.066681	234.6
[M+Na-2H]-	487.027496	204.0
[M]+	466.05228142	225.9
[M]-	466.05337858	225.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.