CID 68089

Neocinchophen

Structural Information

Molecular Formula

C₁₉H₁₇NO₂

SMILES

CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C19H17NO2/c1-3-22-19(21)16-12-18(14-7-5-4-6-8-14)20-17-10-9-13(2)11-15(16)17/h4-12H,3H2,1-2H3

InChIKey

BUDBHJPMAKXMLD-UHFFFAOYSA-N

Compound name

ethyl 6-methyl-2-phenylquinoline-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 645
Patents: 291.12592 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]+	292.13320	168.3
[M+Na]+	314.11514	185.0
[M+NH4]+	309.15974	177.2
[M+K]+	330.08908	176.0
[M-H]-	290.11864	173.5
[M+Na-2H]-	312.10059	177.8
[M]+	291.12537	172.4
[M]-	291.12647	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe