CID 385970

4-methyl-2-quinolyl disulfide

Structural Information

Molecular Formula
C20H16N2S2
SMILES
CC1=CC(=NC2=CC=CC=C12)SSC3=NC4=CC=CC=C4C(=C3)C
InChI
InChI=1S/C20H16N2S2/c1-13-11-19(21-17-9-5-3-7-15(13)17)23-24-20-12-14(2)16-8-4-6-10-18(16)22-20/h3-12H,1-2H3
InChIKey
PPKNKZQDYHGQFD-UHFFFAOYSA-N
Compound name
4-methyl-2-[(4-methylquinolin-2-yl)disulfanyl]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

23
Patents

348.0755 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08278 175.0
[M+Na]+ 371.06472 187.3
[M-H]- 347.06822 181.0
[M+NH4]+ 366.10932 189.0
[M+K]+ 387.03866 178.3
[M+H-H2O]+ 331.07276 166.7
[M+HCOO]- 393.07370 185.7
[M+CH3COO]- 407.08935 186.0
[M+Na-2H]- 369.05017 180.4
[M]+ 348.07495 180.7
[M]- 348.07605 180.7
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.