CID 38434

2,2'-dithiobis(n-cyclooctylmethylacetamidine) dihydrochloride

Structural Information

Molecular Formula
C22H42N4S2
SMILES
C1CCCC(CCC1)CN=C(CSSCC(=NCC2CCCCCCC2)N)N
InChI
InChI=1S/C22H42N4S2/c23-21(25-15-19-11-7-3-1-4-8-12-19)17-27-28-18-22(24)26-16-20-13-9-5-2-6-10-14-20/h19-20H,1-18H2,(H2,23,25)(H2,24,26)
InChIKey
WFBBWEDUPSUHAX-UHFFFAOYSA-N
Compound name
2-[[2-amino-2-(cyclooctylmethylimino)ethyl]disulfanyl]-N'-(cyclooctylmethyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.2851 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.29238 125.8
[M+Na]+ 449.27432 126.7
[M-H]- 425.27782 126.3
[M+NH4]+ 444.31892 126.5
[M+K]+ 465.24826 127.0
[M+H-H2O]+ 409.28236 125.0
[M+HCOO]- 471.28330 126.3
[M+CH3COO]- 485.29895 253.4
[M+Na-2H]- 447.25977 125.0
[M]+ 426.28455 125.7
[M]- 426.28565 125.7
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.