CID 3009820

Quinoline, 1,1'-dithiobis[decahydro-

Structural Information

Molecular Formula
C18H32N2S2
SMILES
C1CCC2C(C1)CCCN2SSN3CCCC4C3CCCC4
InChI
InChI=1S/C18H32N2S2/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20/h15-18H,1-14H2
InChIKey
PVDLMYILACGYEV-UHFFFAOYSA-N
Compound name
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yldisulfanyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.20068 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20796 173.0
[M+Na]+ 363.18990 172.9
[M-H]- 339.19340 173.7
[M+NH4]+ 358.23450 185.7
[M+K]+ 379.16384 167.5
[M+H-H2O]+ 323.19794 164.6
[M+HCOO]- 385.19888 169.2
[M+CH3COO]- 399.21453 178.3
[M+Na-2H]- 361.17535 170.8
[M]+ 340.20013 162.7
[M]- 340.20123 162.7
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

No patent data available for this compound.