CID 503397

Gw 526x

Structural Information

Molecular Formula

C₁₆H₁₄FNO₂

SMILES

CCC1=C(C2=C(C=CC(=C2)F)NC1=O)OC#CC3CC3

InChI

InChI=1S/C16H14FNO2/c1-2-12-15(20-8-7-10-3-4-10)13-9-11(17)5-6-14(13)18-16(12)19/h5-6,9-10H,2-4H2,1H3,(H,18,19)

InChIKey

ORNTVNQQVUITLP-UHFFFAOYSA-N

Compound name

4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 271.10086 Da
Monoisotopic Mass: 3.4
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]+	272.10814	157.9
[M+Na]+	294.09008	175.4
[M-H]-	270.09358	162.1
[M+NH4]+	289.13468	169.4
[M+K]+	310.06402	164.0
[M+H-H2O]+	254.09812	146.5
[M+HCOO]-	316.09906	173.6
[M+CH3COO]-	330.11471	169.2
[M+Na-2H]-	292.07553	162.5
[M]+	271.10031	156.5
[M]-	271.10141	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe