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
1
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]+ 333.18425 172.0
[M+Na]+ 355.16619 179.3
[M-H]- 331.16969 172.4
[M+NH4]+ 350.21079 186.4
[M+K]+ 371.14013 176.1
[M+H-H2O]+ 315.17423 166.0
[M+HCOO]- 377.17517 182.9
[M+CH3COO]- 391.19082 210.9
[M+Na-2H]- 353.15164 169.2
[M]+ 332.17642 177.8
[M]- 332.17752 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.