CID 6478002

Nsc687020

Structural Information

Molecular Formula
C20H35N3O5Si
SMILES
CCC/C=[N+](/[C@@H]1C[C@H](O[C@H]1CO[Si](C)(C)C(C)(C)C)N2C=C(C(=O)NC2=O)C)\[O-]
InChI
InChI=1S/C20H35N3O5Si/c1-8-9-10-23(26)15-11-17(22-12-14(2)18(24)21-19(22)25)28-16(15)13-27-29(6,7)20(3,4)5/h10,12,15-17H,8-9,11,13H2,1-7H3,(H,21,24,25)/b23-10-/t15-,16+,17+/m1/s1
InChIKey
AQFYZMDOSADBEP-NXXMHAKKSA-N
Compound name
N-[(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]butan-1-imine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.24188 203.5
[M+Na]+ 448.22382 208.2
[M-H]- 424.22732 207.0
[M+NH4]+ 443.26842 211.2
[M+K]+ 464.19776 201.1
[M+H-H2O]+ 408.23186 200.6
[M+HCOO]- 470.23280 217.0
[M+CH3COO]- 484.24845 217.9
[M+Na-2H]- 446.20927 206.1
[M]+ 425.23405 204.6
[M]- 425.23515 204.6
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.