CID 95182

Tetrabutyl thiodisuccinate

Structural Information

Molecular Formula
C24H42O8S
SMILES
CCCCOC(=O)CC(C(=O)OCCCC)SC(CC(=O)OCCCC)C(=O)OCCCC
InChI
InChI=1S/C24H42O8S/c1-5-9-13-29-21(25)17-19(23(27)31-15-11-7-3)33-20(24(28)32-16-12-8-4)18-22(26)30-14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey
QEFOHLDZJZYQEZ-UHFFFAOYSA-N
Compound name
dibutyl 2-(1,4-dibutoxy-1,4-dioxobutan-2-yl)sulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

490.26004 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.26732 234.3
[M+Na]+ 513.24926 240.8
[M-H]- 489.25276 229.4
[M+NH4]+ 508.29386 245.3
[M+K]+ 529.22320 239.0
[M+H-H2O]+ 473.25730 238.5
[M+HCOO]- 535.25824 235.4
[M+CH3COO]- 549.27389 238.2
[M+Na-2H]- 511.23471 223.1
[M]+ 490.25949 237.2
[M]- 490.26059 237.2
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