CID 496709

Nsc697597

Structural Information

Molecular Formula
C25H44N4O6Si2
SMILES
CC1=NC(=NO1)C[C@H]2[C@@H](O[C@@H]([C@H]2O[Si](C)(C)C(C)(C)C)N3C=CC(=O)NC3=O)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H44N4O6Si2/c1-16-26-19(28-34-16)14-17-18(15-32-36(8,9)24(2,3)4)33-22(29-13-12-20(30)27-23(29)31)21(17)35-37(10,11)25(5,6)7/h12-13,17-18,21-22H,14-15H2,1-11H3,(H,27,30,31)/t17-,18-,21-,22-/m0/s1
InChIKey
UYPKSFAKHYAATP-GPHNJDIKSA-N
Compound name
1-[(2S,3S,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.27997 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.28725 231.1
[M+Na]+ 575.26919 236.2
[M-H]- 551.27269 236.6
[M+NH4]+ 570.31379 232.6
[M+K]+ 591.24313 236.0
[M+H-H2O]+ 535.27723 224.0
[M+HCOO]- 597.27817 237.1
[M+CH3COO]- 611.29382 245.2
[M+Na-2H]- 573.25464 230.7
[M]+ 552.27942 238.8
[M]- 552.28052 238.8
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.