CID 367786

Nsc637728

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

CCC1=C(C(=CC=C1)CC)NC2=CC(=O)C(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H19NO2/c1-3-13-8-7-9-14(4-2)19(13)21-17-12-18(22)20(23)16-11-6-5-10-15(16)17/h5-12,21H,3-4H2,1-2H3

InChIKey

YCSOPLIBDXTWNT-UHFFFAOYSA-N

Compound name

4-(2,6-diethylanilino)naphthalene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.14157 Da
Monoisotopic Mass: 4.3
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]+	306.148846	171.5
[M+Na]+	328.130788	180.0
[M-H]-	304.134294	179.4
[M+NH4]+	323.175393	187.5
[M+K]+	344.104728	174.3
[M+H-H2O]+	288.138830	163.1
[M+HCOO]-	350.139771	193.8
[M+CH3COO]-	364.155421	211.4
[M+Na-2H]-	326.116236	175.3
[M]+	305.14102142	172.6
[M]-	305.14211858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.