CID 503381

Gw 980x

Structural Information

Molecular Formula

C₁₇H₁₆ClNO₂

SMILES

CCCC1=C(C2=C(C=CC(=C2)Cl)NC1=O)OC#CC3CC3

InChI

InChI=1S/C17H16ClNO2/c1-2-3-13-16(21-9-8-11-4-5-11)14-10-12(18)6-7-15(14)19-17(13)20/h6-7,10-11H,2-5H2,1H3,(H,19,20)

InChIKey

RGJIQWRWAKAMFR-UHFFFAOYSA-N

Compound name

6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 301.08694 Da
Monoisotopic Mass: 4.4
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]+	302.09422	164.1
[M+Na]+	324.07616	182.1
[M-H]-	300.07966	169.2
[M+NH4]+	319.12076	175.5
[M+K]+	340.05010	169.4
[M+H-H2O]+	284.08420	154.2
[M+HCOO]-	346.08514	176.5
[M+CH3COO]-	360.10079	175.3
[M+Na-2H]-	322.06161	168.5
[M]+	301.08639	165.8
[M]-	301.08749	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe