CID 38428

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

Structural Information

Molecular Formula
C16H30N4S2
SMILES
C1CCC(C1)CN=C(CSSCC(=NCC2CCCC2)N)N
InChI
InChI=1S/C16H30N4S2/c17-15(19-9-13-5-1-2-6-13)11-21-22-12-16(18)20-10-14-7-3-4-8-14/h13-14H,1-12H2,(H2,17,19)(H2,18,20)
InChIKey
PTRDEMVXTDCPAE-UHFFFAOYSA-N
Compound name
2-[[2-amino-2-(cyclopentylmethylimino)ethyl]disulfanyl]-N'-(cyclopentylmethyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1912 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19848 180.6
[M+Na]+ 365.18042 180.6
[M-H]- 341.18392 186.1
[M+NH4]+ 360.22502 197.1
[M+K]+ 381.15436 176.6
[M+H-H2O]+ 325.18846 172.2
[M+HCOO]- 387.18940 193.0
[M+CH3COO]- 401.20505 219.6
[M+Na-2H]- 363.16587 174.9
[M]+ 342.19065 176.3
[M]- 342.19175 176.3
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.