CID 6477571

Nsc693089

Structural Information

Molecular Formula
C17H25N3O5Si
SMILES
CC(C)(C)[Si](C)(C)O[C@@H]\1[C@H](O[C@H](/C1=C/C#N)N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C17H25N3O5Si/c1-17(2,3)26(4,5)25-14-11(6-8-18)15(24-12(14)10-21)20-9-7-13(22)19-16(20)23/h6-7,9,12,14-15,21H,10H2,1-5H3,(H,19,22,23)/b11-6+/t12-,14+,15-/m1/s1
InChIKey
SVYVVRNFTSBWJQ-CRMZLTEPSA-N
Compound name
(2E)-2-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-5-(hydroxymethyl)oxolan-3-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.15634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16362 188.9
[M+Na]+ 402.14556 197.4
[M-H]- 378.14906 190.0
[M+NH4]+ 397.19016 197.0
[M+K]+ 418.11950 194.3
[M+H-H2O]+ 362.15360 175.0
[M+HCOO]- 424.15454 198.4
[M+CH3COO]- 438.17019 219.9
[M+Na-2H]- 400.13101 188.7
[M]+ 379.15579 185.1
[M]- 379.15689 185.1
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.