CID 155530899

Chembl4465074

Structural Information

Molecular Formula
C14H15ClN2O2
SMILES
CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)NC(C)(C)C)Cl
InChI
InChI=1S/C14H15ClN2O2/c1-7-5-6-8-10(16-7)13(19)11(9(15)12(8)18)17-14(2,3)4/h5-6,17H,1-4H3
InChIKey
WVYGXNBYCRDXMH-UHFFFAOYSA-N
Compound name
7-(tert-butylamino)-6-chloro-2-methylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.0822 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08948 162.3
[M+Na]+ 301.07142 173.4
[M-H]- 277.07492 166.3
[M+NH4]+ 296.11602 179.8
[M+K]+ 317.04536 168.3
[M+H-H2O]+ 261.07946 156.7
[M+HCOO]- 323.08040 177.9
[M+CH3COO]- 337.09605 203.5
[M+Na-2H]- 299.05687 167.3
[M]+ 278.08165 166.1
[M]- 278.08275 166.1
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.