CID 217549

N,n'-dithiodiethylenebis(4-cyclohexylpentylamine) dihydrochloride

Structural Information

Molecular Formula
C26H52N2S2
SMILES
CC(CCCNCCSSCCNCCCC(C)C1CCCCC1)C2CCCCC2
InChI
InChI=1S/C26H52N2S2/c1-23(25-13-5-3-6-14-25)11-9-17-27-19-21-29-30-22-20-28-18-10-12-24(2)26-15-7-4-8-16-26/h23-28H,3-22H2,1-2H3
InChIKey
OTGDTNHZYFETJW-UHFFFAOYSA-N
Compound name
4-cyclohexyl-N-[2-[2-(4-cyclohexylpentylamino)ethyldisulfanyl]ethyl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.35718 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.364456 209.0
[M+Na]+ 479.346398 202.2
[M-H]- 455.349904 209.3
[M+NH4]+ 474.391003 216.7
[M+K]+ 495.320338 195.5
[M+H-H2O]+ 439.354440 199.4
[M+HCOO]- 501.355381 210.0
[M+CH3COO]- 515.371031 238.4
[M+Na-2H]- 477.331846 201.5
[M]+ 456.35663142 204.4
[M]- 456.35772858 204.4
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.