CID 503391

Gw 947x

Structural Information

Molecular Formula

C₁₆H₁₈ClNO₃

SMILES

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

InChI

InChI=1S/C16H18ClNO3/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

CKVRGLZAFOHYDD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 307.09753 Da
Monoisotopic Mass: 3.5
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]+	308.10481	161.8
[M+Na]+	330.08675	170.1
[M-H]-	306.09025	166.3
[M+NH4]+	325.13135	170.7
[M+K]+	346.06069	167.5
[M+H-H2O]+	290.09479	149.5
[M+HCOO]-	352.09573	175.7
[M+CH3COO]-	366.11138	204.7
[M+Na-2H]-	328.07220	165.7
[M]+	307.09698	174.4
[M]-	307.09808	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe