CID 59274

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

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

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

InChI

InChI=1S/C16H15NO2/c1-3-17(2)16-10-14(18)13-8-11-6-4-5-7-12(11)9-15(13)19-16/h4-10H,3H2,1-2H3

InChIKey

WRTUVVITKMUNCM-UHFFFAOYSA-N

Compound name

2-[ethyl(methyl)amino]benzo[g]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 253.11028 Da
Monoisotopic Mass: 3.5
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]+	254.117556	154.5
[M+Na]+	276.099498	165.1
[M-H]-	252.103004	162.9
[M+NH4]+	271.144103	173.2
[M+K]+	292.073438	162.8
[M+H-H2O]+	236.107540	146.9
[M+HCOO]-	298.108481	178.9
[M+CH3COO]-	312.124131	168.7
[M+Na-2H]-	274.084946	164.5
[M]+	253.10973142	160.2
[M]-	253.11082858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe