CID 18631474

Propionamide, n,n'-(dithiodiethylene)bis(2-amino-, l-, dihydrobromide

Structural Information

Molecular Formula
C10H22N4O2S2
SMILES
C[C@@H](C(=O)NCCSSCCNC(=O)[C@H](C)N)N
InChI
InChI=1S/C10H22N4O2S2/c1-7(11)9(15)13-3-5-17-18-6-4-14-10(16)8(2)12/h7-8H,3-6,11-12H2,1-2H3,(H,13,15)(H,14,16)/t7-,8-/m0/s1
InChIKey
YOMIHWBVICMMHW-YUMQZZPRSA-N
Compound name
(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.1184 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12568 165.8
[M+Na]+ 317.10762 166.2
[M-H]- 293.11112 162.8
[M+NH4]+ 312.15222 178.8
[M+K]+ 333.08156 162.5
[M+H-H2O]+ 277.11566 157.2
[M+HCOO]- 339.11660 175.2
[M+CH3COO]- 353.13225 210.7
[M+Na-2H]- 315.09307 161.5
[M]+ 294.11785 164.1
[M]- 294.11895 164.1
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