{1-[(2r,4s,5r)-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}methyl acetate (C24H44N2O7Si2)

Structural Information

Molecular Formula

SMILES

CC(=O)OCC1=CN(C(=O)NC1=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(27)30-14-17-13-26(22(29)25-21(17)28)20-12-18(33-35(10,11)24(5,6)7)19(32-20)15-31-34(8,9)23(2,3)4/h13,18-20H,12,14-15H2,1-11H3,(H,25,28,29)/t18-,19+,20+/m0/s1

InChIKey

OSGLEAAADZPDEM-XUVXKRRUSA-N

Compound name

[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	529.275976	220.8
[M+Na]+	551.257918	224.8
[M-H]-	527.261424	224.0
[M+NH4]+	546.302523	225.6
[M+K]+	567.231858	225.1
[M+H-H2O]+	511.265960	214.5
[M+HCOO]-	573.266901	228.3
[M+CH3COO]-	587.282551	241.0
[M+Na-2H]-	549.243366	221.6
[M]+	528.26815142	228.7
[M]-	528.26924858	228.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.275976

220.8

[M+Na]+

551.257918

224.8

[M-H]-

527.261424

224.0

[M+NH4]+

546.302523

225.6

[M+K]+

567.231858

225.1

[M+H-H2O]+

511.265960

214.5

[M+HCOO]-

573.266901

228.3

[M+CH3COO]-

587.282551

241.0

[M+Na-2H]-

549.243366

221.6

[M]+

528.26815142

228.7

[M]-

528.26924858

228.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

{1-[(2r,4s,5r)-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}methyl acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe