CID 59273

4h-naphtho(2,3-b)pyran-4-one, 2-diethylamino-

Structural Information

Molecular Formula

C₁₇H₁₇NO₂

SMILES

CCN(CC)C1=CC(=O)C2=CC3=CC=CC=C3C=C2O1

InChI

InChI=1S/C17H17NO2/c1-3-18(4-2)17-11-15(19)14-9-12-7-5-6-8-13(12)10-16(14)20-17/h5-11H,3-4H2,1-2H3

InChIKey

JUOXQLOLOBLRJM-UHFFFAOYSA-N

Compound name

2-(diethylamino)benzo[g]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.12592 Da
Monoisotopic Mass: 3.9
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]+	268.133196	159.5
[M+Na]+	290.115138	169.5
[M-H]-	266.118644	167.6
[M+NH4]+	285.159743	177.5
[M+K]+	306.089078	167.0
[M+H-H2O]+	250.123180	151.6
[M+HCOO]-	312.124121	183.5
[M+CH3COO]-	326.139771	173.1
[M+Na-2H]-	288.100586	168.8
[M]+	267.12537142	165.4
[M]-	267.12646858	165.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.