CID 16683186

Nsc643836

Structural Information

Molecular Formula
C24H32O10Sn
SMILES
CC[Sn](CC)(OC(=O)C1=C(C(=C(C=C1)OC)OC)OC)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/2C10H12O5.2C2H5.Sn/c2*1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;2*1-2;/h2*4-5H,1-3H3,(H,11,12);2*1H2,2H3;/q;;;;+2/p-2
InChIKey
OVUXKBCZVCGNNU-UHFFFAOYSA-L
Compound name
[diethyl-(2,3,4-trimethoxybenzoyl)oxystannyl] 2,3,4-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.10175 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.10903 232.3
[M+Na]+ 623.09097 237.0
[M-H]- 599.09447 238.2
[M+NH4]+ 618.13557 238.4
[M+K]+ 639.06491 238.6
[M+H-H2O]+ 583.09901 221.7
[M+HCOO]- 645.09995 250.1
[M+CH3COO]- 659.11560 246.1
[M+Na-2H]- 621.07642 228.8
[M]+ 600.10120 248.5
[M]- 600.10230 248.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.