CID 20838839

Dtxsid00887156

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 298.7
[M+Na]+ 999.23342 308.9
[M-H]- 975.23692 304.9
[M+NH4]+ 994.27802 319.2
[M+K]+ 1015.2074 308.0
[M+H-H2O]+ 959.24146 301.5
[M+HCOO]- 1021.2424 311.6
[M+CH3COO]- 1035.2581 289.4
[M+Na-2H]- 997.21887 283.3
[M]+ 976.24365 299.1
[M]- 976.24475 299.1
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.