CID 26687

2-diethylamino-1,4-naphthoquinone

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CCN(CC)C1=CC(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H15NO2/c1-3-15(4-2)12-9-13(16)10-7-5-6-8-11(10)14(12)17/h5-9H,3-4H2,1-2H3

InChIKey

YWEDSYCFWBEXBJ-UHFFFAOYSA-N

Compound name

2-(diethylamino)naphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 229.11028 Da
Monoisotopic Mass: 2.6
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]+	230.117556	149.1
[M+Na]+	252.099498	157.3
[M-H]-	228.103004	155.2
[M+NH4]+	247.144103	169.0
[M+K]+	268.073438	154.9
[M+H-H2O]+	212.107540	142.4
[M+HCOO]-	274.108481	172.8
[M+CH3COO]-	288.124131	198.3
[M+Na-2H]-	250.084946	154.5
[M]+	229.10973142	151.3
[M]-	229.11082858	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe