CID 73555471

221216-62-2

Structural Information

Molecular Formula
C20H32O3S6
SMILES
CC(CSCCSCCSC(=O)C(=C)C)C(=O)SCCSCCSC(=O)C(=C)C
InChI
InChI=1S/C20H32O3S6/c1-15(2)18(21)27-11-8-24-6-7-26-14-17(5)20(23)29-13-10-25-9-12-28-19(22)16(3)4/h17H,1,3,6-14H2,2,4-5H3
InChIKey
CNWZNFOIEKWVCY-UHFFFAOYSA-N
Compound name
S-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethyl] 2-methyl-3-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]propanethioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

512.06757 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.07485 221.7
[M+Na]+ 535.05679 218.6
[M-H]- 511.06029 212.8
[M+NH4]+ 530.10139 224.4
[M+K]+ 551.03073 202.8
[M+H-H2O]+ 495.06483 212.1
[M+HCOO]- 557.06577 201.0
[M+CH3COO]- 571.08142 237.8
[M+Na-2H]- 533.04224 216.1
[M]+ 512.06702 214.8
[M]- 512.06812 214.8
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.