CID 503367

Gw 678x

Structural Information

Molecular Formula

C₁₇H₂₀BrNO₂

SMILES

CCCC1=C(C2=C(C=CC(=C2)Br)NC1=O)OC3CCCC3

InChI

InChI=1S/C17H20BrNO2/c1-2-5-13-16(21-12-6-3-4-7-12)14-10-11(18)8-9-15(14)19-17(13)20/h8-10,12H,2-7H2,1H3,(H,19,20)

InChIKey

AVLRXDLVYUIDPW-UHFFFAOYSA-N

Compound name

6-bromo-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 349.06775 Da
Monoisotopic Mass: 4.3
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]+	350.07503	177.1
[M+Na]+	372.05697	187.7
[M-H]-	348.06047	184.4
[M+NH4]+	367.10157	195.2
[M+K]+	388.03091	174.8
[M+H-H2O]+	332.06501	176.1
[M+HCOO]-	394.06595	193.6
[M+CH3COO]-	408.08160	206.1
[M+Na-2H]-	370.04242	179.3
[M]+	349.06720	194.9
[M]-	349.06830	194.9

Literature stripe

literature stripe

Patent stripe

patents stripe