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 170.4
[M+Na]+ 345.13894 170.7
[M-H]- 321.14244 167.0
[M+NH4]+ 340.18354 182.6
[M+K]+ 361.11288 165.3
[M+H-H2O]+ 305.14698 161.4
[M+HCOO]- 367.14792 181.5
[M+CH3COO]- 381.16357 214.7
[M+Na-2H]- 343.12439 167.6
[M]+ 322.14917 170.7
[M]- 322.15027 170.7
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