PubChemLite - 141684-44-8 (C24H43N3O8SSi2)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]([C@H](O2)CO[Si](C)(C)C(C)(C)C)(C#N)OS(=O)(=O)C)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C24H43N3O8SSi2/c1-16-13-27(21(29)26-19(16)28)20-18(34-38(11,12)23(5,6)7)24(15-25,35-36(8,30)31)17(33-20)14-32-37(9,10)22(2,3)4/h13,17-18,20H,14H2,1-12H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1

InChIKey

NSVJFTGUTFJYAS-DSPLJNTKSA-N

Compound name

[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-cyano-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate

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]+	590.23824	235.3
[M+Na]+	612.22018	241.1
[M-H]-	588.22368	237.7
[M+NH4]+	607.26478	239.1
[M+K]+	628.19412	242.2
[M+H-H2O]+	572.22822	224.0
[M+HCOO]-	634.22916	236.0
[M+CH3COO]-	648.24481	253.1
[M+Na-2H]-	610.20563	238.4
[M]+	589.23041	239.7
[M]-	589.23151	239.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

590.23824

235.3

[M+Na]+

612.22018

241.1

[M-H]-

588.22368

237.7

[M+NH4]+

607.26478

239.1

[M+K]+

628.19412

242.2

[M+H-H2O]+

572.22822

224.0

[M+HCOO]-

634.22916

236.0

[M+CH3COO]-

648.24481

253.1

[M+Na-2H]-

610.20563

238.4

[M]+

589.23041

239.7

[M]-

589.23151

239.7

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

141684-44-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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