CID 16683190

Nsc643846

Structural Information

Molecular Formula
C28H42O11Sn2
SMILES
CC[Sn](CC)(OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)O[Sn](CC)(CC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/2C10H12O5.4C2H5.O.2Sn/c2*1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;4*1-2;;;/h2*4-5H,1-3H3,(H,11,12);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
NHHUXXBLMNRCPV-UHFFFAOYSA-L
Compound name
[[diethyl-(3,4,5-trimethoxybenzoyl)oxystannyl]oxy-diethylstannyl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

794.07715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 795.08443 274.8
[M+Na]+ 817.06637 262.4
[M-H]- 793.06987 256.3
[M+NH4]+ 812.11097 268.1
[M+K]+ 833.04031 278.2
[M+H-H2O]+ 777.07441 262.7
[M+HCOO]- 839.07535 276.4
[M+CH3COO]- 853.09100 266.4
[M+Na-2H]- 815.05182 269.1
[M]+ 794.07660 255.1
[M]- 794.07770 255.1
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.