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
1
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]+ 349.082776 175.0
[M+Na]+ 371.064718 187.3
[M-H]- 347.068224 181.0
[M+NH4]+ 366.109323 189.0
[M+K]+ 387.038658 178.3
[M+H-H2O]+ 331.072760 166.7
[M+HCOO]- 393.073701 185.7
[M+CH3COO]- 407.089351 186.0
[M+Na-2H]- 369.050166 180.4
[M]+ 348.07495142 180.7
[M]- 348.07604858 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

literature stripe

Patent stripe

patents stripe