CID 16684313

68974-77-6

Structural Information

Molecular Formula
C40H74O9Sn2
SMILES
CCCC[Sn](O[Sn](OC(=O)/C=C/C(=O)OCCCCCC(C)C)(CCCC)CCCC)(OC(=O)/C=C/C(=O)OCCCCCC(C)C)CCCC
InChI
InChI=1S/2C12H20O4.4C4H9.O.2Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;4*1-3-4-2;;;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/b2*8-7+;;;;;;;
InChIKey
DNGLKOSMXZLUDY-AQLUMQPMSA-L
Compound name
4-O-[dibutyl-[dibutyl-[(E)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxystannyl]oxystannyl] 1-O-(6-methylheptyl) (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

938.3377 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 939.34498 310.2
[M+Na]+ 961.32692 316.9
[M-H]- 937.33042 309.9
[M+NH4]+ 956.37152 327.7
[M+K]+ 977.30086 323.5
[M+H-H2O]+ 921.33496 309.3
[M+HCOO]- 983.33590 308.6
[M+CH3COO]- 997.35155 291.1
[M+Na-2H]- 959.31237 292.0
[M]+ 938.33715 310.7
[M]- 938.33825 310.7
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.