CID 135687088

90182-07-3

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

CCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-2-3-7-13-10-11-16-15(12-13)19(23)17(20(24)21-16)18(22)14-8-5-4-6-9-14/h4-6,8-12H,2-3,7H2,1H3,(H2,21,23,24)

InChIKey

UURKQIBNHHKXQZ-UHFFFAOYSA-N

Compound name

3-benzoyl-6-butyl-4-hydroxy-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 321.1365 Da
Monoisotopic Mass: 4.7
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]+	322.143776	175.7
[M+Na]+	344.125718	183.8
[M-H]-	320.129224	179.5
[M+NH4]+	339.170323	188.3
[M+K]+	360.099658	177.2
[M+H-H2O]+	304.133760	167.1
[M+HCOO]-	366.134701	193.3
[M+CH3COO]-	380.150351	205.8
[M+Na-2H]-	342.111166	178.8
[M]+	321.13595142	176.2
[M]-	321.13704858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe