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 207.7
[M+Na]+ 449.27432 201.7
[M-H]- 425.27782 212.2
[M+NH4]+ 444.31892 214.2
[M+K]+ 465.24826 203.7
[M+H-H2O]+ 409.28236 198.1
[M+HCOO]- 471.28330 212.4
[M+CH3COO]- 485.29895 237.3
[M+Na-2H]- 447.25977 200.3
[M]+ 426.28455 196.1
[M]- 426.28565 196.1
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.