CID 495819

Nsc669377

Structural Information

Molecular Formula
C21H39N2O8PSi
SMILES
CCOP(=O)(OCC)O[C@@H]1C[C@H](O[C@H]1CO[Si](C)(C)C(C)(C)C)N2C=C(C(=O)N(C2=O)C)C
InChI
InChI=1S/C21H39N2O8PSi/c1-10-27-32(26,28-11-2)31-16-12-18(23-13-15(3)19(24)22(7)20(23)25)30-17(16)14-29-33(8,9)21(4,5)6/h13,16-18H,10-12,14H2,1-9H3/t16-,17+,18+/m1/s1
InChIKey
RDJGKXVVKCSTOD-SQNIBIBYSA-N
Compound name
[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.22134 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.22862 217.4
[M+Na]+ 529.21056 222.8
[M-H]- 505.21406 221.2
[M+NH4]+ 524.25516 223.6
[M+K]+ 545.18450 224.3
[M+H-H2O]+ 489.21860 207.8
[M+HCOO]- 551.21954 235.2
[M+CH3COO]- 565.23519 241.8
[M+Na-2H]- 527.19601 216.6
[M]+ 506.22079 229.4
[M]- 506.22189 229.4
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.