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]+ 427.29238 197.4
[M+Na]+ 449.27432 192.2
[M-H]- 425.27782 199.8
[M+NH4]+ 444.31892 206.2
[M+K]+ 465.24826 186.0
[M+H-H2O]+ 409.28236 187.2
[M+HCOO]- 471.28330 203.4
[M+CH3COO]- 485.29895 237.8
[M+Na-2H]- 447.25977 192.2
[M]+ 426.28455 190.1
[M]- 426.28565 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.