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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.