CID 16684130

Dibutyltinbis(pentadecyl maleate)

Structural Information

Molecular Formula
C46H84O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C/C(=O)OCCCCCCCCCCCCC(C)C)(OC(=O)/C=C/C(=O)OCCCCCCCCCCCCC(C)C)CCCC
InChI
InChI=1S/2C19H34O4.2C4H9.Sn/c2*1-17(2)13-11-9-7-5-3-4-6-8-10-12-16-23-19(22)15-14-18(20)21;2*1-3-4-2;/h2*14-15,17H,3-13,16H2,1-2H3,(H,20,21);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*15-14+;;;
InChIKey
SPHSBZNESOFQRE-IVZMTRENSA-L
Compound name
4-O-[dibutyl-[(E)-4-(13-methyltetradecoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(13-methyltetradecyl) (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

884.5188 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 885.52608 308.3
[M+Na]+ 907.50802 314.6
[M-H]- 883.51152 302.9
[M+NH4]+ 902.55262 323.0
[M+K]+ 923.48196 321.7
[M+H-H2O]+ 867.51606 308.9
[M+HCOO]- 929.51700 304.3
[M+CH3COO]- 943.53265 298.5
[M+Na-2H]- 905.49347 289.8
[M]+ 884.51825 309.6
[M]- 884.51935 309.6
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.