CID 57223

N,n'-(dithiodiethylene)bis(2-aminoacetamide) dihydrobromide

Structural Information

Molecular Formula
C8H18N4O2S2
SMILES
C(CSSCCNC(=O)CN)NC(=O)CN
InChI
InChI=1S/C8H18N4O2S2/c9-5-7(13)11-1-3-15-16-4-2-12-8(14)6-10/h1-6,9-10H2,(H,11,13)(H,12,14)
InChIKey
LRKUUOBDUCMAHM-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[2-[(2-aminoacetyl)amino]ethyldisulfanyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

266.08713 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.094406 154.9
[M+Na]+ 289.076348 156.9
[M-H]- 265.079854 152.2
[M+NH4]+ 284.120953 169.2
[M+K]+ 305.050288 152.3
[M+H-H2O]+ 249.084390 146.6
[M+HCOO]- 311.085331 167.1
[M+CH3COO]- 325.100981 203.0
[M+Na-2H]- 287.061796 153.6
[M]+ 266.08658142 153.7
[M]- 266.08767858 153.7
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

patents stripe