CID 137552091
Xantalgosil c
Structural Information
- Molecular Formula
- C16H22N4O12Si
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O[Si](C)(O)OC3[C@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
- InChI
- InChI=1S/C16H22N4O12Si/c1-18-12-7(13(25)19(2)16(18)28)20(5-17-12)4-6(21)31-33(3,29)32-15-10(24)8(22)9(23)11(30-15)14(26)27/h5,8-11,15,22-24,29H,4H2,1-3H3,(H,26,27)/t8-,9-,10-,11-,15?,33?/m0/s1
- InChIKey
- YNZVCAZUANIRGT-OIBQGEQPSA-N
- Compound name
- (2S,3S,4S,5S)-6-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxy-hydroxy-methylsilyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 491.10762 | 202.2 |
[M+Na]+ | 513.08956 | 209.2 |
[M-H]- | 489.09306 | 201.0 |
[M+NH4]+ | 508.13416 | 202.7 |
[M+K]+ | 529.06350 | 210.1 |
[M+H-H2O]+ | 473.09760 | 194.9 |
[M+HCOO]- | 535.09854 | 207.9 |
[M+CH3COO]- | 549.11419 | 229.9 |
[M+Na-2H]- | 511.07501 | 206.5 |
[M]+ | 490.09979 | 208.7 |
[M]- | 490.10089 | 208.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.