CID 38432

2,2'-dithiobis(n-(2-cycloheptyl)ethylacetamidine) dihydrochloride

Structural Information

Molecular Formula
C22H42N4S2
SMILES
C1CCCC(CC1)CCN=C(CSSCC(=NCCC2CCCCCC2)N)N
InChI
InChI=1S/C22H42N4S2/c23-21(25-15-13-19-9-5-1-2-6-10-19)17-27-28-18-22(24)26-16-14-20-11-7-3-4-8-12-20/h19-20H,1-18H2,(H2,23,25)(H2,24,26)
InChIKey
NPGHSAJOMUFBFA-UHFFFAOYSA-N
Compound name
2-[[2-amino-2-(2-cycloheptylethylimino)ethyl]disulfanyl]-N'-(2-cycloheptylethyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.2851 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.29238 204.6
[M+Na]+ 449.27432 203.8
[M+NH4]+ 444.31892 208.6
[M+K]+ 465.24826 197.9
[M-H]- 425.27782 207.5
[M+Na-2H]- 447.25977 204.9
[M]+ 426.28455 205.5
[M]- 426.28565 205.5
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.