CID 503392

Gw 419x

Structural Information

Molecular Formula

C₁₆H₁₈FNO₃

SMILES

CCOC1=C(C2=C(C=CC(=C2)F)NC1=O)OCC3CCC3

InChI

InChI=1S/C16H18FNO3/c1-2-20-15-14(21-9-10-4-3-5-10)12-8-11(17)6-7-13(12)18-16(15)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)

InChIKey

REEBQLYECZRZFJ-UHFFFAOYSA-N

Compound name

4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 291.12708 Da
Monoisotopic Mass: 3.0
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]+	292.13436	162.7
[M+Na]+	314.11630	170.0
[M-H]-	290.11980	166.1
[M+NH4]+	309.16090	171.1
[M+K]+	330.09024	168.7
[M+H-H2O]+	274.12434	148.6
[M+HCOO]-	336.12528	179.8
[M+CH3COO]-	350.14093	203.7
[M+Na-2H]-	312.10175	166.0
[M]+	291.12653	172.1
[M]-	291.12763	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe