CID 3073257

N,n'-bis(o-acetylserinyl)cystamine bis(trifluoroacetate)

Structural Information

Molecular Formula
C14H26N4O6S2
SMILES
CC(=O)OC[C@@H](C(=O)NCCSSCCNC(=O)[C@H](COC(=O)C)N)N
InChI
InChI=1S/C14H26N4O6S2/c1-9(19)23-7-11(15)13(21)17-3-5-25-26-6-4-18-14(22)12(16)8-24-10(2)20/h11-12H,3-8,15-16H2,1-2H3,(H,17,21)(H,18,22)/t11-,12-/m0/s1
InChIKey
OPFFYBASDAVIQS-RYUDHWBXSA-N
Compound name
[(2S)-3-[2-[2-[[(2S)-3-acetyloxy-2-aminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-amino-3-oxopropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.12936 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.13664 191.1
[M+Na]+ 433.11858 188.7
[M+NH4]+ 428.16318 226.2
[M+K]+ 449.09252 186.6
[M-H]- 409.12208 186.4
[M+Na-2H]- 431.10403 186.6
[M]+ 410.12881 189.0
[M]- 410.12991 189.0
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.