CID 6476959

Nsc694916

Structural Information

Molecular Formula
C24H42N2O7Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1/C(=C\C(=O)OC)/[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H42N2O7Si2/c1-23(2,3)34(8,9)31-15-17-16(14-19(28)30-7)20(33-35(10,11)24(4,5)6)21(32-17)26-13-12-18(27)25-22(26)29/h12-14,17,20-21H,15H2,1-11H3,(H,25,27,29)/b16-14+/t17-,20-,21-/m1/s1
InChIKey
XUWMFOISSCUBFL-DMKOTOELSA-N
Compound name
methyl (2E)-2-[(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

526.25305 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.26033 219.7
[M+Na]+ 549.24227 224.0
[M-H]- 525.24577 222.9
[M+NH4]+ 544.28687 224.6
[M+K]+ 565.21621 223.7
[M+H-H2O]+ 509.25031 213.5
[M+HCOO]- 571.25125 227.4
[M+CH3COO]- 585.26690 239.7
[M+Na-2H]- 547.22772 220.5
[M]+ 526.25250 226.8
[M]- 526.25360 226.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.