CID 155521635

Chembl4451452

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CCCCCCCCNC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl
InChI
InChI=1S/C17H21ClN2O2/c1-2-3-4-5-6-7-10-20-15-13(18)17(22)14-12(16(15)21)9-8-11-19-14/h8-9,11,20H,2-7,10H2,1H3
InChIKey
VBPMEPPSCUSJON-UHFFFAOYSA-N
Compound name
7-chloro-6-(octylamino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.12915 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 175.0
[M+Na]+ 343.11837 183.3
[M-H]- 319.12187 177.5
[M+NH4]+ 338.16297 190.2
[M+K]+ 359.09231 176.9
[M+H-H2O]+ 303.12641 167.7
[M+HCOO]- 365.12735 191.1
[M+CH3COO]- 379.14300 211.5
[M+Na-2H]- 341.10382 178.2
[M]+ 320.12860 179.9
[M]- 320.12970 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.