CID 146157718
Sulfobutylether-beta-cyclodextrin
Structural Information
- Molecular Formula
- C46H78O37S
- SMILES
- CC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)COCCCCS(=O)(=O)O)CO)CO)CO)CO)CO)O)O
- InChI
- InChI=1S/C46H78O37S/c1-12-33-19(52)26(59)40(70-12)78-34-13(6-47)71-41(27(60)20(34)53)79-35-14(7-48)72-42(28(61)21(35)54)80-36-15(8-49)73-43(29(62)22(36)55)81-37-16(9-50)74-44(30(63)23(37)56)82-38-17(10-51)75-45(31(64)24(38)57)83-39-18(76-46(77-33)32(65)25(39)58)11-69-4-2-3-5-84(66,67)68/h12-65H,2-11H2,1H3,(H,66,67,68)
- InChIKey
- FUMUVTHFHJESOH-UHFFFAOYSA-N
- Compound name
- 4-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-35-methyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methoxy]butane-1-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1255.4016 | 303.1 |
[M+Na]+ | 1277.3835 | 321.4 |
[M-H]- | 1253.3870 | 307.9 |
[M+NH4]+ | 1272.4281 | 310.0 |
[M+K]+ | 1293.3575 | 308.4 |
[M+H-H2O]+ | 1237.3916 | 309.0 |
[M+HCOO]- | 1299.3925 | 310.3 |
[M+CH3COO]- | 1313.4082 | 310.8 |
[M+Na-2H]- | 1275.3690 | 312.2 |
[M]+ | 1254.3938 | 313.3 |
[M]- | 1254.3948 | 313.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.