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]+ 295.125676 165.8
[M+Na]+ 317.107618 166.2
[M-H]- 293.111124 162.8
[M+NH4]+ 312.152223 178.8
[M+K]+ 333.081558 162.5
[M+H-H2O]+ 277.115660 157.2
[M+HCOO]- 339.116601 175.2
[M+CH3COO]- 353.132251 210.7
[M+Na-2H]- 315.093066 161.5
[M]+ 294.11785142 164.1
[M]- 294.11894858 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