CID 38430

2,2'-dithiobis(n-(3-cyclohexylpropyl)acetamidine) dihydrochloride

Structural Information

Molecular Formula
C22H42N4S2
SMILES
C1CCC(CC1)CCCN=C(CSSCC(=NCCCC2CCCCC2)N)N
InChI
InChI=1S/C22H42N4S2/c23-21(25-15-7-13-19-9-3-1-4-10-19)17-27-28-18-22(24)26-16-8-14-20-11-5-2-6-12-20/h19-20H,1-18H2,(H2,23,25)(H2,24,26)
InChIKey
AVJZSINXRNOHSQ-UHFFFAOYSA-N
Compound name
2-[[2-amino-2-(3-cyclohexylpropylimino)ethyl]disulfanyl]-N'-(3-cyclohexylpropyl)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]+ 427.292376 197.4
[M+Na]+ 449.274318 192.2
[M-H]- 425.277824 199.8
[M+NH4]+ 444.318923 206.2
[M+K]+ 465.248258 186.0
[M+H-H2O]+ 409.282360 187.2
[M+HCOO]- 471.283301 203.4
[M+CH3COO]- 485.298951 237.8
[M+Na-2H]- 447.259766 192.2
[M]+ 426.28455142 190.1
[M]- 426.28564858 190.1
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.