CID 16683134

Nsc628569

Structural Information

Molecular Formula
C22H42N2O5Sn
SMILES
CCCCCCCC[Sn]1(OC(=O)CN(CC(=O)O1)CC(=O)N)CCCCCCCC
InChI
InChI=1S/2C8H17.C6H10N2O5.Sn/c2*1-3-5-7-8-6-4-2;7-4(9)1-8(2-5(10)11)3-6(12)13;/h2*1,3-8H2,2H3;1-3H2,(H2,7,9)(H,10,11)(H,12,13);/q;;;+2/p-2
InChIKey
SZTMPBXTASNFLS-UHFFFAOYSA-L
Compound name
2-(2,2-dioctyl-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

534.21155 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.21883 198.8
[M+Na]+ 557.20077 200.9
[M-H]- 533.20427 198.9
[M+NH4]+ 552.24537 201.8
[M+K]+ 573.17471 200.9
[M+H-H2O]+ 517.20881 193.5
[M+HCOO]- 579.20975 203.8
[M+CH3COO]- 593.22540 245.5
[M+Na-2H]- 555.18622 193.9
[M]+ 534.21100 200.8
[M]- 534.21210 200.8
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.