CID 500162

Nsc656908

Structural Information

Molecular Formula
C23H35N3O5Si
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)N(CC3=CC=CC=C3)O
InChI
InChI=1S/C23H35N3O5Si/c1-16-13-25(22(28)24-21(16)27)20-12-18(26(29)14-17-10-8-7-9-11-17)19(31-20)15-30-32(5,6)23(2,3)4/h7-11,13,18-20,29H,12,14-15H2,1-6H3,(H,24,27,28)/t18-,19-,20-/m1/s1
InChIKey
BMEUEPIPSAKFEZ-VAMGGRTRSA-N
Compound name
1-[(2R,4R,5S)-4-[benzyl(hydroxy)amino]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.2346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.24188 210.5
[M+Na]+ 484.22382 215.1
[M-H]- 460.22732 217.1
[M+NH4]+ 479.26842 216.4
[M+K]+ 500.19776 212.9
[M+H-H2O]+ 444.23186 201.4
[M+HCOO]- 506.23280 223.5
[M+CH3COO]- 520.24845 233.1
[M+Na-2H]- 482.20927 210.2
[M]+ 461.23405 213.4
[M]- 461.23515 213.4
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.