CID 363474

Nsc628385

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CCN(CC)C1=CC(=O)C(=O)C2=C1N=CC=C2

InChI

InChI=1S/C13H14N2O2/c1-3-15(4-2)10-8-11(16)13(17)9-6-5-7-14-12(9)10/h5-8H,3-4H2,1-2H3

InChIKey

IZSRKEAYDOVXED-UHFFFAOYSA-N

Compound name

8-(diethylamino)quinoline-5,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.10553 Da
Monoisotopic Mass: 1.0
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]+	231.112806	149.5
[M+Na]+	253.094748	158.1
[M-H]-	229.098254	154.3
[M+NH4]+	248.139353	167.9
[M+K]+	269.068688	155.8
[M+H-H2O]+	213.102790	142.0
[M+HCOO]-	275.103731	172.2
[M+CH3COO]-	289.119381	198.0
[M+Na-2H]-	251.080196	155.5
[M]+	230.10498142	151.8
[M]-	230.10607858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.