CID 139597082

Db-257052

Structural Information

Molecular Formula
C58H102O12Sn
SMILES
CCCCCCCCCCCCCCOC(=O)C=CC(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)CCCC
InChI
InChI=1S/3C18H32O4.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-4H2,2H3;/q;;;;+3/p-3/b2*15-14-;;;
InChIKey
SIGMQEZAKTZEPF-POUCYOBESA-K
Compound name
4-O-[butyl-bis[[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxy]stannyl] 1-O-tetradecyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1110.6393 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1111.646576 353.7
[M+Na]+ 1133.628518 357.8
[M-H]- 1109.632024 348.8
[M+NH4]+ 1128.673123 372.3
[M+K]+ 1149.602458 367.7
[M+H-H2O]+ 1093.636560 354.0
[M+HCOO]- 1155.637501 347.2
[M+CH3COO]- 1169.653151 329.6
[M+Na-2H]- 1131.613966 330.6
[M]+ 1110.63875142 359.6
[M]- 1110.63984858 359.6
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.