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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 149.5
[M+Na]+ 253.09475 158.1
[M-H]- 229.09825 154.3
[M+NH4]+ 248.13935 167.9
[M+K]+ 269.06869 155.8
[M+H-H2O]+ 213.10279 142.0
[M+HCOO]- 275.10373 172.2
[M+CH3COO]- 289.11938 198.0
[M+Na-2H]- 251.08020 155.5
[M]+ 230.10498 151.8
[M]- 230.10608 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.