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]+ 457.36446 209.0
[M+Na]+ 479.34640 202.2
[M-H]- 455.34990 209.3
[M+NH4]+ 474.39100 216.7
[M+K]+ 495.32034 195.5
[M+H-H2O]+ 439.35444 199.4
[M+HCOO]- 501.35538 210.0
[M+CH3COO]- 515.37103 238.4
[M+Na-2H]- 477.33185 201.5
[M]+ 456.35663 204.4
[M]- 456.35773 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.