CID 488494

Chembl3142819

Structural Information

Molecular Formula
C24H44N2O7Si2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H44N2O7Si2/c1-16-13-25(22(30)26(21(16)29)14-20(27)28)19-12-17(33-35(10,11)24(5,6)7)18(32-19)15-31-34(8,9)23(2,3)4/h13,17-19H,12,14-15H2,1-11H3,(H,27,28)/t17-,18+,19+/m0/s1
InChIKey
AXLGPTBFHIGEMJ-IPMKNSEASA-N
Compound name
2-[3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

528.2687 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.27598 219.6
[M+Na]+ 551.25792 224.3
[M-H]- 527.26142 223.1
[M+NH4]+ 546.30252 224.6
[M+K]+ 567.23186 224.7
[M+H-H2O]+ 511.26596 213.7
[M+HCOO]- 573.26690 227.1
[M+CH3COO]- 587.28255 243.1
[M+Na-2H]- 549.24337 219.9
[M]+ 528.26815 228.0
[M]- 528.26925 228.0
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.