CID 16683144

Nsc628580

Structural Information

Molecular Formula
C15H21NO5Sn
SMILES
CCCC[Sn]1(OC(=O)C2=CC(=O)C=C(N2)C(=O)O1)CCCC
InChI
InChI=1S/C7H5NO5.2C4H9.Sn/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;2*1-3-4-2;/h1-2H,(H,8,9)(H,10,11)(H,12,13);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
ITOSYRCLADCCAX-UHFFFAOYSA-L
Compound name
4,4-dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.0442 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.05148 183.1
[M+Na]+ 438.03342 188.3
[M-H]- 414.03692 183.7
[M+NH4]+ 433.07802 189.0
[M+K]+ 454.00736 188.0
[M+H-H2O]+ 398.04146 178.4
[M+HCOO]- 460.04240 189.0
[M+CH3COO]- 474.05805 233.1
[M+Na-2H]- 436.01887 181.7
[M]+ 415.04365 185.2
[M]- 415.04475 185.2
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

No patent data available for this compound.