CID 3073251

N,n'-bis(prolyl)cystamine bis(trifluoroacetate)

Structural Information

Molecular Formula
C14H26N4O2S2
SMILES
C1C[C@H](N(C1)CCSSCCN2CCC[C@H]2C(=O)N)C(=O)N
InChI
InChI=1S/C14H26N4O2S2/c15-13(19)11-3-1-5-17(11)7-9-21-22-10-8-18-6-2-4-12(18)14(16)20/h11-12H,1-10H2,(H2,15,19)(H2,16,20)/t11-,12-/m0/s1
InChIKey
BZLSOMZXLZKDRZ-RYUDHWBXSA-N
Compound name
(2S)-1-[2-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15700 178.4
[M+Na]+ 369.13894 180.8
[M+NH4]+ 364.18354 183.6
[M+K]+ 385.11288 177.5
[M-H]- 345.14244 178.7
[M+Na-2H]- 367.12439 177.4
[M]+ 346.14917 178.9
[M]- 346.15027 178.9
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

No patent data available for this compound.