CID 503373

Gw 048x

Structural Information

Molecular Formula

C₁₆H₁₈ClNO₂

SMILES

CCC1=C(C2=C(C=CC(=C2)Cl)NC1=O)OC3CCCC3

InChI

InChI=1S/C16H18ClNO2/c1-2-12-15(20-11-5-3-4-6-11)13-9-10(17)7-8-14(13)18-16(12)19/h7-9,11H,2-6H2,1H3,(H,18,19)

InChIKey

UARNDCJYINLYSV-UHFFFAOYSA-N

Compound name

6-chloro-4-cyclopentyloxy-3-ethyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 291.1026 Da
Monoisotopic Mass: 3.7
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]+	292.10988	166.5
[M+Na]+	314.09182	175.7
[M-H]-	290.09532	171.4
[M+NH4]+	309.13642	184.1
[M+K]+	330.06576	169.0
[M+H-H2O]+	274.09986	159.7
[M+HCOO]-	336.10080	181.0
[M+CH3COO]-	350.11645	177.9
[M+Na-2H]-	312.07727	167.9
[M]+	291.10205	167.4
[M]-	291.10315	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe