CID 16683133

Nsc628568

Structural Information

Molecular Formula
C14H26N2O5Sn
SMILES
CCCC[Sn]1(OC(=O)CN(CC(=O)O1)CC(=O)N)CCCC
InChI
InChI=1S/C6H10N2O5.2C4H9.Sn/c7-4(9)1-8(2-5(10)11)3-6(12)13;2*1-3-4-2;/h1-3H2,(H2,7,9)(H,10,11)(H,12,13);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
VFWPWJARKQKKHU-UHFFFAOYSA-L
Compound name
2-(2,2-dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.08636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09364 181.4
[M+Na]+ 445.07558 185.1
[M-H]- 421.07908 182.3
[M+NH4]+ 440.12018 186.5
[M+K]+ 461.04952 185.8
[M+H-H2O]+ 405.08362 176.8
[M+HCOO]- 467.08456 187.7
[M+CH3COO]- 481.10021 235.3
[M+Na-2H]- 443.06103 178.5
[M]+ 422.08581 182.3
[M]- 422.08691 182.3
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.