CID 16683191

Nsc643847

Structural Information

Molecular Formula
C36H58O11Sn2
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=C(C(=C(C=C1)OC)OC)OC)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/2C10H12O5.4C4H9.O.2Sn/c2*1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;4*1-3-4-2;;;/h2*4-5H,1-3H3,(H,11,12);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
GPLUHLHQOLIMEW-UHFFFAOYSA-L
Compound name
[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

906.20233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 907.20961 281.1
[M+Na]+ 929.19155 287.6
[M-H]- 905.19505 279.9
[M+NH4]+ 924.23615 294.6
[M+K]+ 945.16549 286.5
[M+H-H2O]+ 889.19959 281.3
[M+HCOO]- 951.20053 299.8
[M+CH3COO]- 965.21618 287.7
[M+Na-2H]- 927.17700 264.0
[M]+ 906.20178 281.9
[M]- 906.20288 281.9
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.