CID 453844

40733-27-5

Structural Information

Molecular Formula
C16H28N2O5Si
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C16H28N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(12(9-19)22-13)23-24(5,6)16(2,3)4/h8,11-13,19H,7,9H2,1-6H3,(H,17,20,21)/t11-,12+,13+/m0/s1
InChIKey
QAPSNMNOIOSXSQ-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19782
Patents

356.17676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18404 182.5
[M+Na]+ 379.16598 190.0
[M-H]- 355.16948 185.2
[M+NH4]+ 374.21058 193.2
[M+K]+ 395.13992 188.0
[M+H-H2O]+ 339.17402 176.1
[M+HCOO]- 401.17496 195.1
[M+CH3COO]- 415.19061 207.9
[M+Na-2H]- 377.15143 183.4
[M]+ 356.17621 185.2
[M]- 356.17731 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe