CID 59813

N,n'-(dithiodiethylene)bis(4-aminobutyramide) dihydrobromide

Structural Information

Molecular Formula
C12H26N4O2S2
SMILES
C(CC(=O)NCCSSCCNC(=O)CCCN)CN
InChI
InChI=1S/C12H26N4O2S2/c13-5-1-3-11(17)15-7-9-19-20-10-8-16-12(18)4-2-6-14/h1-10,13-14H2,(H,15,17)(H,16,18)
InChIKey
FWZFEHNPIFBMMX-UHFFFAOYSA-N
Compound name
4-amino-N-[2-[2-(4-aminobutanoylamino)ethyldisulfanyl]ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.14972 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15700 172.4
[M+Na]+ 345.13894 173.7
[M+NH4]+ 340.18354 176.7
[M+K]+ 361.11288 166.8
[M-H]- 321.14244 171.4
[M+Na-2H]- 343.12439 171.0
[M]+ 322.14917 172.3
[M]- 322.15027 172.3
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

patents stripe