CID 496363

Nsc687023

Structural Information

Molecular Formula
C17H26N2O6Si
SMILES
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H](C1(C#C)O)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C17H26N2O6Si/c1-7-17(23)11(10-20)24-14(19-9-8-12(21)18-15(19)22)13(17)25-26(5,6)16(2,3)4/h1,8-9,11,13-14,20,23H,10H2,2-6H3,(H,18,21,22)/t11-,13+,14-,17?/m0/s1
InChIKey
BFPOFWCSOJEYMU-ZKLAXMAUSA-N
Compound name
1-[(2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.156 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16328 187.0
[M+Na]+ 405.14522 196.3
[M-H]- 381.14872 186.3
[M+NH4]+ 400.18982 196.0
[M+K]+ 421.11916 192.8
[M+H-H2O]+ 365.15326 175.0
[M+HCOO]- 427.15420 193.1
[M+CH3COO]- 441.16985 214.1
[M+Na-2H]- 403.13067 187.6
[M]+ 382.15545 183.3
[M]- 382.15655 183.3
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.