CID 135687089

90182-08-4

Structural Information

Molecular Formula

C₂₂H₂₃NO₃

SMILES

CCCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO3/c1-2-3-4-6-9-15-12-13-18-17(14-15)21(25)19(22(26)23-18)20(24)16-10-7-5-8-11-16/h5,7-8,10-14H,2-4,6,9H2,1H3,(H2,23,25,26)

InChIKey

AEEZZQATQVVLLY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 349.1678 Da
Monoisotopic Mass: 5.8
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]+	350.175076	184.9
[M+Na]+	372.157018	191.9
[M-H]-	348.160524	188.2
[M+NH4]+	367.201623	196.2
[M+K]+	388.130958	184.9
[M+H-H2O]+	332.165060	175.7
[M+HCOO]-	394.166001	201.6
[M+CH3COO]-	408.181651	211.7
[M+Na-2H]-	370.142466	186.8
[M]+	349.16725142	185.9
[M]-	349.16834858	185.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe