CID 9578742

Nsc700835

Structural Information

Molecular Formula
C21H39N3O6Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1/C(=N\O)/[C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C21H39N3O6Si2/c1-20(2,3)31(7,8)28-13-14-16(23-27)17(30-32(9,10)21(4,5)6)18(29-14)24-12-11-15(25)22-19(24)26/h11-12,14,17-18,27H,13H2,1-10H3,(H,22,25,26)/b23-16+/t14-,17-,18-/m0/s1
InChIKey
HRGRFZLKWPCHPI-OGTOMSIUSA-N
Compound name
1-[(2S,3S,4E,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyiminooxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.23773 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.24501 212.6
[M+Na]+ 508.22695 217.4
[M-H]- 484.23045 216.1
[M+NH4]+ 503.27155 218.9
[M+K]+ 524.20089 216.9
[M+H-H2O]+ 468.23499 206.1
[M+HCOO]- 530.23593 222.7
[M+CH3COO]- 544.25158 234.7
[M+Na-2H]- 506.21240 215.6
[M]+ 485.23718 217.7
[M]- 485.23828 217.7
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.