CID 373249

Nsc649313

Structural Information

Molecular Formula
C20H16N2OS2
SMILES
CN1C=C(C(=O)C2=CC=CC=C21)SC3=C(C=NC4=CC=CC=C43)SC
InChI
InChI=1S/C20H16N2OS2/c1-22-12-18(19(23)14-8-4-6-10-16(14)22)25-20-13-7-3-5-9-15(13)21-11-17(20)24-2/h3-12H,1-2H3
InChIKey
QNJWLZWBRUDNGL-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-methylsulfanylquinolin-4-yl)sulfanylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0704 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07768 179.8
[M+Na]+ 387.05962 192.7
[M-H]- 363.06312 186.0
[M+NH4]+ 382.10422 193.2
[M+K]+ 403.03356 183.7
[M+H-H2O]+ 347.06766 171.4
[M+HCOO]- 409.06860 190.6
[M+CH3COO]- 423.08425 190.7
[M+Na-2H]- 385.04507 184.5
[M]+ 364.06985 186.5
[M]- 364.07095 186.5
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.