CID 16684107

5,7,12,14-tetraoxa-6,13-distannaoctadeca-2,9,16-trienedioic acid, 6,6,13,13-tetrabutyl-4,8,11,15-tetraoxo-, 1,18-bis(phenylmethyl) ester, (9z)-

Structural Information

Molecular Formula
C42H56O12Sn2
SMILES
CCCC[Sn](OC(=O)/C=C/C(=O)O[Sn](OC(=O)/C=C/C(=O)OCC1=CC=CC=C1)(CCCC)CCCC)(OC(=O)/C=C/C(=O)OCC2=CC=CC=C2)CCCC
InChI
InChI=1S/2C11H10O4.C4H4O4.4C4H9.2Sn/c2*12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;5-3(6)1-2-4(7)8;4*1-3-4-2;;/h2*1-7H,8H2,(H,12,13);1-2H,(H,5,6)(H,7,8);4*1,3-4H2,2H3;;/q;;;;;;;2*+2/p-4/b2*7-6+;2-1+;;;;;;
InChIKey
ZOCXRPUOFGZFCC-AKFWSUAYSA-J
Compound name
1-O-benzyl 4-O-[dibutyl-[(E)-4-[dibutyl-[(E)-4-oxo-4-phenylmethoxybut-2-enoyl]oxystannyl]oxy-4-oxobut-2-enoyl]oxystannyl] (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

992.1816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 993.18888 284.5
[M+Na]+ 1015.1708 296.5
[M-H]- 991.17432 290.5
[M+NH4]+ 1010.2154 305.9
[M+K]+ 1031.1448 293.9
[M+H-H2O]+ 975.17886 288.0
[M+HCOO]- 1037.1798 296.3
[M+CH3COO]- 1051.1955 291.6
[M+Na-2H]- 1013.1563 271.2
[M]+ 992.18105 286.4
[M]- 992.18215 286.4
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.