CID 282514

(ac-cys-ome)2 (disulfide bond)

Structural Information

Molecular Formula
C12H20N2O6S2
SMILES
CC(=O)NC(CSSCC(C(=O)OC)NC(=O)C)C(=O)OC
InChI
InChI=1S/C12H20N2O6S2/c1-7(15)13-9(11(17)19-3)5-21-22-6-10(12(18)20-4)14-8(2)16/h9-10H,5-6H2,1-4H3,(H,13,15)(H,14,16)
InChIKey
ZTTORBNKJFMGIM-UHFFFAOYSA-N
Compound name
methyl 2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

196
Patents

352.0763 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08358 180.0
[M+Na]+ 375.06552 180.5
[M-H]- 351.06902 178.1
[M+NH4]+ 370.11012 191.5
[M+K]+ 391.03946 179.2
[M+H-H2O]+ 335.07356 172.1
[M+HCOO]- 397.07450 187.7
[M+CH3COO]- 411.09015 214.3
[M+Na-2H]- 373.05097 174.8
[M]+ 352.07575 185.7
[M]- 352.07685 185.7
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