CID 51334

1h-naphtho(2,1-b)pyran-1-one, 3-(ethylamino)-

Structural Information

Molecular Formula

C₁₅H₁₃NO₂

SMILES

CCNC1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32

InChI

InChI=1S/C15H13NO2/c1-2-16-14-9-12(17)15-11-6-4-3-5-10(11)7-8-13(15)18-14/h3-9,16H,2H2,1H3

InChIKey

GAYYBQDKHLTEBM-UHFFFAOYSA-N

Compound name

3-(ethylamino)benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.09464 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]+	240.101916	149.3
[M+Na]+	262.083858	160.3
[M-H]-	238.087364	156.4
[M+NH4]+	257.128463	168.0
[M+K]+	278.057798	156.8
[M+H-H2O]+	222.091900	142.2
[M+HCOO]-	284.092841	173.6
[M+CH3COO]-	298.108491	163.4
[M+Na-2H]-	260.069306	160.6
[M]+	239.09409142	153.5
[M]-	239.09518858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe