CID 253388

5943-39-5

Structural Information

Molecular Formula
C12H24N2O6S4
SMILES
CC(=O)NCCSS(=O)(=O)CCCCS(=O)(=O)SCCNC(=O)C
InChI
InChI=1S/C12H24N2O6S4/c1-11(15)13-5-7-21-23(17,18)9-3-4-10-24(19,20)22-8-6-14-12(2)16/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
VSIVURJXPKNPLZ-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-acetamidoethylsulfanylsulfonyl)butylsulfonylsulfanyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

420.05173 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.05901 197.5
[M+Na]+ 443.04095 197.6
[M-H]- 419.04445 192.2
[M+NH4]+ 438.08555 204.7
[M+K]+ 459.01489 187.9
[M+H-H2O]+ 403.04899 188.6
[M+HCOO]- 465.04993 194.1
[M+CH3COO]- 479.06558 220.8
[M+Na-2H]- 441.02640 198.5
[M]+ 420.05118 198.7
[M]- 420.05228 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.