CID 217551

Pentylamine, n,n'-dithiodiethylenebis(5-cyclooctyloxy-, dihydrochloride

Structural Information

Molecular Formula
C30H60N2O2S2
SMILES
C1CCCC(CCC1)OCCCCCNCCSSCCNCCCCCOC2CCCCCCC2
InChI
InChI=1S/C30H60N2O2S2/c1-3-9-17-29(18-10-4-1)33-25-15-7-13-21-31-23-27-35-36-28-24-32-22-14-8-16-26-34-30-19-11-5-2-6-12-20-30/h29-32H,1-28H2
InChIKey
YJNMNFRMKXCEQC-UHFFFAOYSA-N
Compound name
5-cyclooctyloxy-N-[2-[2-(5-cyclooctyloxypentylamino)ethyldisulfanyl]ethyl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.4096 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.41688 164.3
[M+Na]+ 567.39882 164.5
[M+NH4]+ 562.44342 164.5
[M+K]+ 583.37276 164.8
[M-H]- 543.40232 164.4
[M+Na-2H]- 565.38427 164.9
[M]+ 544.40905 164.4
[M]- 544.41015 164.4
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.