CID 16065021

6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6h-quinolin-5-one

Structural Information

Molecular Formula

C₁₉H₁₇NO

SMILES

CC1(CCC2=C(C1=O)C=CC(=N2)C#CC3=CC=CC=C3)C

InChI

InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3

InChIKey

GXHZJFOEDFUGMK-UHFFFAOYSA-N

Compound name

6,6-dimethyl-2-(2-phenylethynyl)-7,8-dihydroquinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 43
Patents: 275.131 Da
Monoisotopic Mass: 4.0
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]+	276.138276	169.2
[M+Na]+	298.120218	180.8
[M-H]-	274.123724	172.9
[M+NH4]+	293.164823	185.0
[M+K]+	314.094158	170.8
[M+H-H2O]+	258.128260	155.0
[M+HCOO]-	320.129201	182.5
[M+CH3COO]-	334.144851	178.8
[M+Na-2H]-	296.105666	172.9
[M]+	275.13045142	162.2
[M]-	275.13154858	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe