CID 482417

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

Structural Information

Molecular Formula
C18H14N2O3S
SMILES
CC(=O)C1=CC(=CC=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC
InChI
InChI=1S/C18H14N2O3S/c1-10(21)11-5-3-6-12(9-11)20-15-16(22)13-7-4-8-19-14(13)17(23)18(15)24-2/h3-9,20H,1-2H3
InChIKey
SVKAXHJBIXZTSL-UHFFFAOYSA-N
Compound name
6-(3-acetylanilino)-7-methylsulfanylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.0725 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07978 176.0
[M+Na]+ 361.06172 185.0
[M-H]- 337.06522 182.6
[M+NH4]+ 356.10632 189.5
[M+K]+ 377.03566 179.3
[M+H-H2O]+ 321.06976 167.5
[M+HCOO]- 383.07070 191.9
[M+CH3COO]- 397.08635 214.0
[M+Na-2H]- 359.04717 177.9
[M]+ 338.07195 179.4
[M]- 338.07305 179.4
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.