CID 155562497

Chembl4570611

Structural Information

Molecular Formula
C13H13ClN2O2
SMILES
CCCNC1=C(C(=O)C2=C(C1=O)C=CC(=N2)C)Cl
InChI
InChI=1S/C13H13ClN2O2/c1-3-6-15-11-9(14)13(18)10-8(12(11)17)5-4-7(2)16-10/h4-5,15H,3,6H2,1-2H3
InChIKey
XMGIDPXJZUUDOG-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-6-(propylamino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.06656 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07384 156.6
[M+Na]+ 287.05578 167.7
[M-H]- 263.05928 160.3
[M+NH4]+ 282.10038 174.5
[M+K]+ 303.02972 162.3
[M+H-H2O]+ 247.06382 150.5
[M+HCOO]- 309.06476 174.1
[M+CH3COO]- 323.08041 200.8
[M+Na-2H]- 285.04123 161.3
[M]+ 264.06601 160.5
[M]- 264.06711 160.5
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.