CID 503374

Gw 292x

Structural Information

Molecular Formula

C₁₈H₂₂ClNO₂

SMILES

CCC(C)C1=C(C2=C(C=CC(=C2)Cl)NC1=O)OC3CCCC3

InChI

InChI=1S/C18H22ClNO2/c1-3-11(2)16-17(22-13-6-4-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)

InChIKey

KNVUQLXNBQMORU-UHFFFAOYSA-N

Compound name

3-butan-2-yl-6-chloro-4-cyclopentyloxy-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 319.1339 Da
Monoisotopic Mass: 4.6
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]+	320.14118	175.5
[M+Na]+	342.12312	183.5
[M-H]-	318.12662	180.2
[M+NH4]+	337.16772	191.9
[M+K]+	358.09706	176.8
[M+H-H2O]+	302.13116	168.5
[M+HCOO]-	364.13210	188.3
[M+CH3COO]-	378.14775	204.8
[M+Na-2H]-	340.10857	174.8
[M]+	319.13335	176.6
[M]-	319.13445	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe