CID 497586
Chembl2374228
Structural Information
- Molecular Formula
- C19H31N3O8Si
- SMILES
- CC1CN2CC(O[Si](O1)(OC(C2)C)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C)C
- InChI
- InChI=1S/C19H31N3O8Si/c1-11-6-22(19(25)20-18(11)24)17-5-15(16(10-23)26-17)30-31-27-12(2)7-21(8-13(3)28-31)9-14(4)29-31/h6,12-17,23H,5,7-10H2,1-4H3,(H,20,24,25)/t12?,13?,14?,15-,16+,17+,31?/m0/s1
- InChIKey
- MZGVHEKFKGRQNU-XYWXVOHKSA-N
- Compound name
- 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 458.19533 | 115.3 |
[M+Na]+ | 480.17727 | 115.3 |
[M-H]- | 456.18077 | 115.3 |
[M+NH4]+ | 475.22187 | 115.3 |
[M+K]+ | 496.15121 | 115.3 |
[M+H-H2O]+ | 440.18531 | 115.2 |
[M+HCOO]- | 502.18625 | 115.2 |
[M+CH3COO]- | 516.20190 | 115.2 |
[M+Na-2H]- | 478.16272 | 115.1 |
[M]+ | 457.18750 | 115.2 |
[M]- | 457.18860 | 115.2 |
Literature stripe
Patent stripe
No patent data available for this compound.