CID 482421

6-(4-ethoxyanilino)-7-methylsulfanyl-quinoline-5,8-dione

Structural Information

Molecular Formula
C18H16N2O3S
SMILES
CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC
InChI
InChI=1S/C18H16N2O3S/c1-3-23-12-8-6-11(7-9-12)20-15-16(21)13-5-4-10-19-14(13)17(22)18(15)24-2/h4-10,20H,3H2,1-2H3
InChIKey
FWMZWBDLRFGNEF-UHFFFAOYSA-N
Compound name
6-(4-ethoxyanilino)-7-methylsulfanylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.08817 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.095446 176.9
[M+Na]+ 363.077388 186.0
[M-H]- 339.080894 183.4
[M+NH4]+ 358.121993 190.6
[M+K]+ 379.051328 180.3
[M+H-H2O]+ 323.085430 168.1
[M+HCOO]- 385.086371 193.7
[M+CH3COO]- 399.102021 213.8
[M+Na-2H]- 361.062836 179.8
[M]+ 340.08762142 181.5
[M]- 340.08871858 181.5
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.