CID 44145609

Dtxsid501100468

Structural Information

Molecular Formula
C66H118O12Sn
SMILES
CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)CCCCCCCCCCCC
InChI
InChI=1S/3C18H32O4.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-5-7-9-11-12-10-8-6-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-12H2,2H3;/q;;;;+3/p-3/b3*15-14-;;
InChIKey
HULSPORJGSUDMC-DWUHLOFKSA-K
Compound name
4-O-[dodecyl-bis[[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxy]stannyl] 1-O-tetradecyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1222.7645 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1223.7718 374.9
[M+Na]+ 1245.7537 377.8
[M-H]- 1221.7572 367.2
[M+NH4]+ 1240.7983 393.6
[M+K]+ 1261.7277 390.9
[M+H-H2O]+ 1205.7618 374.7
[M+HCOO]- 1267.7627 365.6
[M+CH3COO]- 1281.7784 347.1
[M+Na-2H]- 1243.7392 349.4
[M]+ 1222.7640 382.9
[M]- 1222.7650 382.9
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.