PubChemLite - 121055-65-0 (C24H42N4O5Si2)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)C#N)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C24H42N4O5Si2/c1-16(29)26-19-12-13-28(22(30)27-19)21-20(33-35(10,11)24(5,6)7)17(14-25)18(32-21)15-31-34(8,9)23(2,3)4/h12-13,17-18,20-21H,15H2,1-11H3,(H,26,27,29,30)/t17-,18+,20+,21+/m0/s1

InChIKey

CWIYBDWSMFKVFG-UYWIDEMCSA-N

Compound name

N-[1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyanooxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

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]+	523.27663	224.4
[M+Na]+	545.25857	229.1
[M-H]-	521.26207	227.2
[M+NH4]+	540.30317	228.7
[M+K]+	561.23251	229.2
[M+H-H2O]+	505.26661	210.2
[M+HCOO]-	567.26755	231.1
[M+CH3COO]-	581.28320	251.4
[M+Na-2H]-	543.24402	224.1
[M]+	522.26880	224.5
[M]-	522.26990	224.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.27663

224.4

[M+Na]+

545.25857

229.1

[M-H]-

521.26207

227.2

[M+NH4]+

540.30317

228.7

[M+K]+

561.23251

229.2

[M+H-H2O]+

505.26661

210.2

[M+HCOO]-

567.26755

231.1

[M+CH3COO]-

581.28320

251.4

[M+Na-2H]-

543.24402

224.1

[M]+

522.26880

224.5

[M]-

522.26990

224.5

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

121055-65-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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