CID 4093893

5,20-dioxa-8,11,14,17-tetrathiatetracosane

Structural Information

Molecular Formula
C18H38O2S4
SMILES
CCCCOCCSCCSCCSCCSCCOCCCC
InChI
InChI=1S/C18H38O2S4/c1-3-5-7-19-9-11-21-13-15-23-17-18-24-16-14-22-12-10-20-8-6-4-2/h3-18H2,1-2H3
InChIKey
UVXXPEPKOSECEH-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(2-butoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.17548 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18276 190.3
[M+Na]+ 437.16470 191.2
[M-H]- 413.16820 185.8
[M+NH4]+ 432.20930 200.5
[M+K]+ 453.13864 181.3
[M+H-H2O]+ 397.17274 181.8
[M+HCOO]- 459.17368 187.4
[M+CH3COO]- 473.18933 224.0
[M+Na-2H]- 435.15015 185.5
[M]+ 414.17493 196.9
[M]- 414.17603 196.9
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.