CID 452047

121055-68-3

Structural Information

Molecular Formula
C22H40N4O4Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O[Si](C)(C)C(C)(C)C)C#N
InChI
InChI=1S/C22H40N4O4Si2/c1-21(2,3)31(7,8)28-14-16-15(13-23)18(30-32(9,10)22(4,5)6)19(29-16)26-12-11-17(24)25-20(26)27/h11-12,15-16,18-19H,14H2,1-10H3,(H2,24,25,27)/t15-,16-,18-,19-/m1/s1
InChIKey
WMSIRCDICHBPAB-PSBWJHGTSA-N
Compound name
(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.25882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.26610 216.6
[M+Na]+ 503.24804 222.3
[M-H]- 479.25154 219.1
[M+NH4]+ 498.29264 222.4
[M+K]+ 519.22198 221.7
[M+H-H2O]+ 463.25608 202.4
[M+HCOO]- 525.25702 223.8
[M+CH3COO]- 539.27267 244.5
[M+Na-2H]- 501.23349 216.6
[M]+ 480.25827 215.1
[M]- 480.25937 215.1
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.