CID 13092810

83789-26-8

Structural Information

Molecular Formula
C15H28N2O4S
SMILES
CCCCN1C(=O)C(C(=O)N(S1(=O)=O)CCCC)CC(C)C
InChI
InChI=1S/C15H28N2O4S/c1-5-7-9-16-14(18)13(11-12(3)4)15(19)17(10-8-6-2)22(16,20)21/h12-13H,5-11H2,1-4H3
InChIKey
KILVSSSYOSIDBU-UHFFFAOYSA-N
Compound name
2,6-dibutyl-4-(2-methylpropyl)-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

332.17697 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.184246 172.0
[M+Na]+ 355.166188 179.3
[M-H]- 331.169694 172.4
[M+NH4]+ 350.210793 186.4
[M+K]+ 371.140128 176.1
[M+H-H2O]+ 315.174230 166.0
[M+HCOO]- 377.175171 182.9
[M+CH3COO]- 391.190821 210.9
[M+Na-2H]- 353.151636 169.2
[M]+ 332.17642142 177.8
[M]- 332.17751858 177.8
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.