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]+ 341.09545 176.9
[M+Na]+ 363.07739 186.0
[M-H]- 339.08089 183.4
[M+NH4]+ 358.12199 190.6
[M+K]+ 379.05133 180.3
[M+H-H2O]+ 323.08543 168.1
[M+HCOO]- 385.08637 193.7
[M+CH3COO]- 399.10202 213.8
[M+Na-2H]- 361.06284 179.8
[M]+ 340.08762 181.5
[M]- 340.08872 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.