CID 173424

75535-23-8

Structural Information

Molecular Formula

C₂₁H₂₁NO₂

SMILES

CCN1CCCC2=C1C=CC(=C2)C=C3COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21NO2/c1-2-22-11-5-6-16-12-15(9-10-19(16)22)13-17-14-24-20-8-4-3-7-18(20)21(17)23/h3-4,7-10,12-13H,2,5-6,11,14H2,1H3

InChIKey

FSVYQLFYLOIGTE-UHFFFAOYSA-N

Compound name

3-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 22
Patents: 319.15723 Da
Monoisotopic Mass: 4.2
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]+	320.164506	176.7
[M+Na]+	342.146448	183.1
[M-H]-	318.149954	183.2
[M+NH4]+	337.191053	189.9
[M+K]+	358.120388	177.8
[M+H-H2O]+	302.154490	166.6
[M+HCOO]-	364.155431	190.6
[M+CH3COO]-	378.171081	186.3
[M+Na-2H]-	340.131896	180.5
[M]+	319.15668142	173.5
[M]-	319.15777858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe