CID 155538601

Chembl4476619

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3
InChI
InChI=1S/C16H11ClN2O2/c1-9-7-8-11-13(18-9)16(21)12(17)14(15(11)20)19-10-5-3-2-4-6-10/h2-8,19H,1H3
InChIKey
UNEXRLRXLBPENB-UHFFFAOYSA-N
Compound name
6-anilino-7-chloro-2-methylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0509 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05818 165.4
[M+Na]+ 321.04012 176.5
[M-H]- 297.04362 172.3
[M+NH4]+ 316.08472 181.3
[M+K]+ 337.01406 169.9
[M+H-H2O]+ 281.04816 157.5
[M+HCOO]- 343.04910 183.3
[M+CH3COO]- 357.06475 177.7
[M+Na-2H]- 319.02557 170.9
[M]+ 298.05035 168.0
[M]- 298.05145 168.0
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.