CID 16683573

Nsc643837

Structural Information

Molecular Formula
C28H40O10Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1OC)OC)OC)OC(=O)C2=CC(=C(C=C2OC)OC)OC
InChI
InChI=1S/2C10H12O5.2C4H9.Sn/c2*1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12;2*1-3-4-2;/h2*4-5H,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
DJOGSWMGNUFBTG-UHFFFAOYSA-L
Compound name
[dibutyl-(2,4,5-trimethoxybenzoyl)oxystannyl] 2,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

656.16437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.17165 250.4
[M+Na]+ 679.15359 253.1
[M-H]- 655.15709 255.3
[M+NH4]+ 674.19819 243.7
[M+K]+ 695.12753 254.0
[M+H-H2O]+ 639.16163 238.9
[M+HCOO]- 701.16257 254.7
[M+CH3COO]- 715.17822 257.2
[M+Na-2H]- 677.13904 244.9
[M]+ 656.16382 267.8
[M]- 656.16492 267.8
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.