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

22
Patents

266.08713 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09441 154.9
[M+Na]+ 289.07635 156.9
[M-H]- 265.07985 152.2
[M+NH4]+ 284.12095 169.2
[M+K]+ 305.05029 152.3
[M+H-H2O]+ 249.08439 146.6
[M+HCOO]- 311.08533 167.1
[M+CH3COO]- 325.10098 203.0
[M+Na-2H]- 287.06180 153.6
[M]+ 266.08658 153.7
[M]- 266.08768 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