CID 20838839

68109-86-4

Structural Information

Molecular Formula
C40H64O12Sn2
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OC1CCCCC1)(CCCC)CCCC)(OC(=O)/C=C\C(=O)OC2CCCCC2)CCCC
InChI
InChI=1S/2C10H14O4.C4H4O4.4C4H9.2Sn/c2*11-9(12)6-7-10(13)14-8-4-2-1-3-5-8;5-3(6)1-2-4(7)8;4*1-3-4-2;;/h2*6-8H,1-5H2,(H,11,12);1-2H,(H,5,6)(H,7,8);4*1,3-4H2,2H3;;/q;;;;;;;2*+2/p-4/b2*7-6-;2-1-;;;;;;
InChIKey
QVSXFYNCKWOCMA-OGUYYKQXSA-J
Compound name
1-O-cyclohexyl 4-O-[dibutyl-[(Z)-4-[dibutyl-[(Z)-4-cyclohexyloxy-4-oxobut-2-enoyl]oxystannyl]oxy-4-oxobut-2-enoyl]oxystannyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

976.2442 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 977.25148 277.5
[M+Na]+ 999.23342 278.2
[M+NH4]+ 994.27802 283.4
[M+K]+ 1015.2074 278.6
[M-H]- 975.23692 274.4
[M+Na-2H]- 997.21887 278.7
[M]+ 976.24365 277.9
[M]- 976.24475 277.9
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.