CID 373248

Nsc649312

Structural Information

Molecular Formula
C19H14N2OS2
SMILES
CSC1=C(C2=CC=CC=C2N=C1)SC3=CNC4=CC=CC=C4C3=O
InChI
InChI=1S/C19H14N2OS2/c1-23-17-11-21-15-9-5-3-7-13(15)19(17)24-16-10-20-14-8-4-2-6-12(14)18(16)22/h2-11H,1H3,(H,20,22)
InChIKey
NNBZVAAQEUSNMM-UHFFFAOYSA-N
Compound name
3-(3-methylsulfanylquinolin-4-yl)sulfanyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05475 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06203 173.9
[M+Na]+ 373.04397 186.2
[M-H]- 349.04747 178.7
[M+NH4]+ 368.08857 187.0
[M+K]+ 389.01791 176.6
[M+H-H2O]+ 333.05201 166.2
[M+HCOO]- 395.05295 183.8
[M+CH3COO]- 409.06860 184.4
[M+Na-2H]- 371.02942 179.8
[M]+ 350.05420 178.3
[M]- 350.05530 178.3
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.