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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.10034 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10762 203.6
[M+Na]+ 513.08956 209.8
[M+NH4]+ 508.13416 200.7
[M+K]+ 529.06350 216.1
[M-H]- 489.09306 198.1
[M+Na-2H]- 511.07501 198.7
[M]+ 490.09979 201.9
[M]- 490.10089 201.9
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.