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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	427.292376	207.7
[M+Na]+	449.274318	201.7
[M-H]-	425.277824	212.2
[M+NH4]+	444.318923	214.2
[M+K]+	465.248258	203.7
[M+H-H2O]+	409.282360	198.1
[M+HCOO]-	471.283301	212.4
[M+CH3COO]-	485.298951	237.3
[M+Na-2H]-	447.259766	200.3
[M]+	426.28455142	196.1
[M]-	426.28564858	196.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.