CID 3325241

5,8,20,23-tetraoxa-11,14,17-trithiaheptacosane

Structural Information

Molecular Formula
C20H42O4S3
SMILES
CCCCOCCOCCSCCSCCSCCOCCOCCCC
InChI
InChI=1S/C20H42O4S3/c1-3-5-7-21-9-11-23-13-15-25-17-19-27-20-18-26-16-14-24-12-10-22-8-6-4-2/h3-20H2,1-2H3
InChIKey
ZKHWKUMYVRXVRW-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethoxy]ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.22452 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.23180 201.0
[M+Na]+ 465.21374 200.8
[M-H]- 441.21724 197.0
[M+NH4]+ 460.25834 210.5
[M+K]+ 481.18768 193.9
[M+H-H2O]+ 425.22178 192.1
[M+HCOO]- 487.22272 204.1
[M+CH3COO]- 501.23837 228.1
[M+Na-2H]- 463.19919 196.0
[M]+ 442.22397 213.8
[M]- 442.22507 213.8
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.