CID 114001

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

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CCCCNC1=CC(=O)C2=C(C1=O)C=CC=N2
InChI
InChI=1S/C13H14N2O2/c1-2-3-6-14-10-8-11(16)12-9(13(10)17)5-4-7-15-12/h4-5,7-8,14H,2-3,6H2,1H3
InChIKey
IUQRFVREMWMGPS-UHFFFAOYSA-N
Compound name
6-(butylamino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 149.8
[M+Na]+ 253.09475 158.3
[M-H]- 229.09825 153.1
[M+NH4]+ 248.13935 167.6
[M+K]+ 269.06869 154.5
[M+H-H2O]+ 213.10279 142.5
[M+HCOO]- 275.10373 172.0
[M+CH3COO]- 289.11938 194.6
[M+Na-2H]- 251.08020 156.5
[M]+ 230.10498 150.9
[M]- 230.10608 150.9
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.