CID 38481

2,2'-dithiobis(n-cycloheptylmethylacetamidine) dihydrochloride

Structural Information

Molecular Formula
C20H38N4S2
SMILES
C1CCCC(CC1)CN=C(CSSCC(=NCC2CCCCCC2)N)N
InChI
InChI=1S/C20H38N4S2/c21-19(23-13-17-9-5-1-2-6-10-17)15-25-26-16-20(22)24-14-18-11-7-3-4-8-12-18/h17-18H,1-16H2,(H2,21,23)(H2,22,24)
InChIKey
HQGWCUVVWHVQKR-UHFFFAOYSA-N
Compound name
2-[[2-amino-2-(cycloheptylmethylimino)ethyl]disulfanyl]-N'-(cycloheptylmethyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.25378 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26106 201.6
[M+Na]+ 421.24300 196.3
[M-H]- 397.24650 206.5
[M+NH4]+ 416.28760 209.0
[M+K]+ 437.21694 198.5
[M+H-H2O]+ 381.25104 192.3
[M+HCOO]- 443.25198 206.7
[M+CH3COO]- 457.26763 232.8
[M+Na-2H]- 419.22845 194.8
[M]+ 398.25323 189.4
[M]- 398.25433 189.4
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.