CID 482415

6-(3,5-dimethoxyanilino)-7-methylsulfanyl-quinoline-5,8-dione

Structural Information

Molecular Formula
C18H16N2O4S
SMILES
COC1=CC(=CC(=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC)OC
InChI
InChI=1S/C18H16N2O4S/c1-23-11-7-10(8-12(9-11)24-2)20-15-16(21)13-5-4-6-19-14(13)17(22)18(15)25-3/h4-9,20H,1-3H3
InChIKey
HMAIXMGVYFUTBQ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethoxyanilino)-7-methylsulfanylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.08307 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09035 180.3
[M+Na]+ 379.07229 189.9
[M-H]- 355.07579 187.1
[M+NH4]+ 374.11689 193.4
[M+K]+ 395.04623 184.9
[M+H-H2O]+ 339.08033 171.4
[M+HCOO]- 401.08127 197.2
[M+CH3COO]- 415.09692 217.3
[M+Na-2H]- 377.05774 182.7
[M]+ 356.08252 186.7
[M]- 356.08362 186.7
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.