CID 217547

N,n'-dithiodiethylenedicyclopentanehexylamine dihydrochloride

Structural Information

Molecular Formula
C26H52N2S2
SMILES
C1CCC(C1)CCCCCCNCCSSCCNCCCCCCC2CCCC2
InChI
InChI=1S/C26H52N2S2/c1(5-13-25-15-7-8-16-25)3-11-19-27-21-23-29-30-24-22-28-20-12-4-2-6-14-26-17-9-10-18-26/h25-28H,1-24H2
InChIKey
FEIJTJHULGHJHQ-UHFFFAOYSA-N
Compound name
6-cyclopentyl-N-[2-[2-(6-cyclopentylhexylamino)ethyldisulfanyl]ethyl]hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.35718 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.36446 211.9
[M+Na]+ 479.34640 208.8
[M-H]- 455.34990 214.0
[M+NH4]+ 474.39100 224.1
[M+K]+ 495.32034 201.8
[M+H-H2O]+ 439.35444 203.2
[M+HCOO]- 501.35538 219.8
[M+CH3COO]- 515.37103 236.1
[M+Na-2H]- 477.33185 203.5
[M]+ 456.35663 213.5
[M]- 456.35773 213.5
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.